(1R,9S)-5-(4-Chlorophenyl)-11-[(methylsulfanyl)acetyl]-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-6-one

enlarge

Systematic / IUPAC Name: (1R,9S)-5-(4-Chlorophenyl)-11-(2-methylsulfanylacetyl)-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-6-one

ID: Reference9928

Other Names: 1,5-Methano-8H-pyrido[1,2-a][1,5]diazocin-8-one, 9-(4-chlorophenyl)-1,2,3,4,5,6-hexahydro-3-[2-(methylthio)acetyl]-, (1R,5S)-;
NAT11-284001

Formula: C20H21ClN2O2S

Spectral Data

(1R,9S)-5-(4-Chlorophenyl)-11-[(methylsulfanyl)acetyl]-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-6-one 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 Fusion Lumos with ETD LBP
No. of Spectral Trees 1
No. of Spectra 1187
Tandem Spectra MS1, MS2, MS3, MS4, MS5
Ionization Methods NSI
Analyzers FT
Last Modification 9/10/2020 8:36:29 AM
View Mass Spec Data > >

Identificators

InChI InChI=1S/C20H21ClN2O2S/c1-26-12-19(24)22-9-13-8-15(11-22)18-7-6-17(20(25)23(18)10-13)14-2-4-16(21)5-3-14/h2-7,13,15H,8-12H2,1H3/t13-,15+/m0/s1
InChI Key FNAOMYVDVAEQEO-DZGCQCFKSA-N
Canonical SMILES CSCC(=O)N1CC2CC(C1)C3=CC=C(C(=O)N3C2)C4=CC=C(C=C4)Cl
CAS
Splash
Other Names 1,5-Methano-8H-pyrido[1,2-a][1,5]diazocin-8-one, 9-(4-chlorophenyl)-1,2,3,4,5,6-hexahydro-3-[2-(methylthio)acetyl]-, (1R,5S)-;
NAT11-284001

In Other Databases

ChemSpider 5484692
PubChem 7143745