Debromohymenialdisine

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Systematic / IUPAC Name: (4Z)-4-(2-Amino-5-oxo-1,5-dihydro-4H-imidazol-4-ylidene)-4,5,6,7-tetrahydropyrrolo[2,3-c]azepin-8(1H)-one

ID: Reference6515

Other Names: (4Z)-4-(2-Amino-1,5-dihydro-5-oxo-4H-imidazol-4-ylidene)-4,5,6,7-tetrahydro-pyrrolo[2,3-c]azepin-8(1H)-one;
(4Z)-4-(2-Amino-4-oxo-1H-imidazol-5-ylidene)-1,5,6,7-tetrahydropyrrolo[2,3-c]azepin-8-one;
Pyrrolo[2,3-c]azepin-8(1H)-one,4-(2-amino-1,5-dihydro-5-oxo-4H-imidazol-4-ylidene)-4,5,6,7-tetrahydro-;
DBH ;
SKF 108753

Formula: C11H11N5O2

Class: Endogenous Metabolites

Spectral Data

Debromohymenialdisine mass spectral data can be found in a separate interface. The data are manually curated and of the highest quality.

View Mass Spectra

Available MS Data

Used Instruments Orbitrap Elite
No. of Spectral Trees 1
No. of Spectra 2714
Tandem Spectra MS1, MS2, MS3, MS4, MS5, MS6
Ionization Methods NSI
Analyzers IT; FT
Last Modification 3/27/2017 1:01:15 PM
View Mass Spec Data > >

Identificators

InChI InChI=1S/C11H11N5O2/c12-11-15-8(10(18)16-11)6-2-4-14-9(17)7-5(6)1-3-13-7/h1,3,13H,2,4H2,(H,14,17)(H3,12,15,16,18)/b8-6-
InChI Key JYRJOQGKGMHTOO-VURMDHGXSA-N
Canonical SMILES C1CNC(=O)C2=C(C1=C3C(=O)N=C(N3)N)C=CN2
CAS 75593178
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Other Names (4Z)-4-(2-Amino-1,5-dihydro-5-oxo-4H-imidazol-4-ylidene)-4,5,6,7-tetrahydro-pyrrolo[2,3-c]azepin-8(1H)-one;
(4Z)-4-(2-Amino-4-oxo-1H-imidazol-5-ylidene)-1,5,6,7-tetrahydropyrrolo[2,3-c]azepin-8-one;
Pyrrolo[2,3-c]azepin-8(1H)-one,4-(2-amino-1,5-dihydro-5-oxo-4H-imidazol-4-ylidene)-4,5,6,7-tetrahydro-;
DBH ;
SKF 108753

In Other Databases

ChEMBL CHEMBL255465
PubChem 5288032
KEGG C19897
ChemSpider 4450275