WIN 54,461

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Systematic / IUPAC Name: {6-Bromo-2-methyl-1-[2-(4-morpholinyl)ethyl]-1H-indol-3-yl}(4-methoxyphenyl)methanone

ID: Reference6293

Other Names: [6-Bromo-2-methyl-1-(2-morpholin-4-yl-ethyl)-1H-indol-3-yl]-(4-methoxy-phenyl)-methanone;
Methanone, [6-bromo-2-methyl-1-[2-(4-morpholinyl)ethyl]-1H-indol-3-yl](4-methoxyphenyl)-;
6-Bromopravadoline

Formula: C23H25BrN2O3

Class: Drugs of Abuse/Illegal Drugs

Spectral Data

WIN 54,461 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 Q Exactive Plus Orbitrap
No. of Spectral Trees 1
No. of Spectra 117
Tandem Spectra MS1, MS2
Ionization Methods ESI
Analyzers FT
Last Modification 2/17/2017 1:56:15 PM
View Mass Spec Data > >

Identificators

InChI InChI=1S/C23H25BrN2O3/c1-16-22(23(27)17-3-6-19(28-2)7-4-17)20-8-5-18(24)15-21(20)26(16)10-9-25-11-13-29-14-12-25/h3-8,15H,9-14H2,1-2H3
InChI Key DUYGSAPQVOBOCS-UHFFFAOYSA-N
Canonical SMILES CC1=C(C2=C(N1CCN3CCOCC3)C=C(C=C2)Br)C(=O)C4=CC=C(C=C4)OC
CAS 166599639
Splash
Other Names [6-Bromo-2-methyl-1-(2-morpholin-4-yl-ethyl)-1H-indol-3-yl]-(4-methoxy-phenyl)-methanone;
Methanone, [6-bromo-2-methyl-1-[2-(4-morpholinyl)ethyl]-1H-indol-3-yl](4-methoxyphenyl)-;
6-Bromopravadoline

In Other Databases

ChEMBL CHEMBL310741
Wikipedia WIN_54,461
PubChem 9868699
ChemSpider 8044390