CID 3046347
61984-03-0
Structural Information
- Molecular Formula
- C16H10N4O3
- SMILES
- C1=CC=C(C=C1)C2=NC(C(=O)NC3=C2C=C(C=C3)[N+](=O)[O-])C#N
- InChI
- InChI=1S/C16H10N4O3/c17-9-14-16(21)19-13-7-6-11(20(22)23)8-12(13)15(18-14)10-4-2-1-3-5-10/h1-8,14H,(H,19,21)
- InChIKey
- BCGKJCWZODJFAI-UHFFFAOYSA-N
- Compound name
- 7-nitro-2-oxo-5-phenyl-1,3-dihydro-1,4-benzodiazepine-3-carbonitrile
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 307.08258 | 177.4 |
[M+Na]+ | 329.06452 | 185.6 |
[M-H]- | 305.06802 | 180.6 |
[M+NH4]+ | 324.10912 | 186.5 |
[M+K]+ | 345.03846 | 179.8 |
[M+H-H2O]+ | 289.07256 | 166.1 |
[M+HCOO]- | 351.07350 | 192.2 |
[M+CH3COO]- | 365.08915 | 208.3 |
[M+Na-2H]- | 327.04997 | 182.4 |
[M]+ | 306.07475 | 166.9 |
[M]- | 306.07585 | 166.9 |
Literature stripe
Patent stripe
No patent data available for this compound.