CID 13756
Demoxepam
Structural Information
- Molecular Formula
- C15H11ClN2O2
- SMILES
- C1C(=O)N=C2C=CC(=CC2=C(N1O)C3=CC=CC=C3)Cl
- InChI
- InChI=1S/C15H11ClN2O2/c16-11-6-7-13-12(8-11)15(10-4-2-1-3-5-10)18(20)9-14(19)17-13/h1-8,20H,9H2
- InChIKey
- PSADRZMLSXCSAS-UHFFFAOYSA-N
- Compound name
- 7-chloro-4-hydroxy-5-phenyl-3H-1,4-benzodiazepin-2-one
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 287.05818 | 160.6 |
[M+Na]+ | 309.04012 | 171.9 |
[M-H]- | 285.04362 | 166.1 |
[M+NH4]+ | 304.08472 | 174.6 |
[M+K]+ | 325.01406 | 170.2 |
[M+H-H2O]+ | 269.04816 | 152.8 |
[M+HCOO]- | 331.04910 | 176.1 |
[M+CH3COO]- | 345.06475 | 172.5 |
[M+Na-2H]- | 307.02557 | 167.2 |
[M]+ | 286.05035 | 160.7 |
[M]- | 286.05145 | 160.7 |