CID 3075888
129178-92-3
Structural Information
- Molecular Formula
- C17H14BrClN2O
- SMILES
- CC1C(=O)N(C2=C(C=C(C=C2)Br)C(=N1)C3=CC=CC=C3Cl)C
- InChI
- InChI=1S/C17H14BrClN2O/c1-10-17(22)21(2)15-8-7-11(18)9-13(15)16(20-10)12-5-3-4-6-14(12)19/h3-10H,1-2H3
- InChIKey
- IFBWQIMNVMDGCK-UHFFFAOYSA-N
- Compound name
- 7-bromo-5-(2-chlorophenyl)-1,3-dimethyl-3H-1,4-benzodiazepin-2-one
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 377.00508 | 172.9 |
[M+Na]+ | 398.98702 | 186.9 |
[M-H]- | 374.99052 | 181.7 |
[M+NH4]+ | 394.03162 | 188.3 |
[M+K]+ | 414.96096 | 177.7 |
[M+H-H2O]+ | 358.99506 | 171.3 |
[M+HCOO]- | 420.99600 | 185.7 |
[M+CH3COO]- | 435.01165 | 186.0 |
[M+Na-2H]- | 396.97247 | 177.6 |
[M]+ | 375.99725 | 190.9 |
[M]- | 375.99835 | 190.9 |
Literature stripe
No literature data available for this compound.
Patent stripe
No patent data available for this compound.