| SpectraBase Spectrum ID |
JGwtEivkE4m |
| Name |
Bromazepam-M/A (4-Oxo) |
| Classification |
Pharmaceutical drug metabolite |
| Copyright |
Copyright © 2024 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved. |
| Exact Mass |
328.979989508 u |
| Formula |
C14H8BrN3O2 |
| InChI |
InChI=1S/C14H8BrN3O2/c15-8-4-5-10-9(7-8)12(11-3-1-2-6-16-11)18-14(20)13(19)17-10/h1-7H,(H,17,18,19,20) |
| InChIKey |
MPUFTABNFVTCSE-UHFFFAOYSA-N |
| Ionization Type |
Electron Ionization (EI) |
| Molecular Weight |
330.141 g/mol |
| Nominal Mass |
329 u |
| Quality |
930 |
| Retention Index |
2539 |
| SMILES |
C1=2C(C3=NC=CC=C3)=NC(C(NC1=CC=C(C2)Br)=O)=O |
| SPLASH |
splash10-0uka-7893000000-aa36797aa8d90665c0bb |
| Sample Comments |
Structure uncertain |
| Source of Spectrum |
DigiLab GmbH (C) 2024 |
| Synonyms |
7-bromo-5-(pyridin-2-yl)-1H-1,4-benzodiazepine-2,3-dione |
| Technique |
GC/MS |
| Wiley ID |
DD2024_000287 |
