CID 12834620
7-phenyl-2,3,4,5-tetrahydro-1h-1,4-diazepin-5-one
Structural Information
- Molecular Formula
- C11H12N2O
- SMILES
- C1CNC(=O)C=C(N1)C2=CC=CC=C2
- InChI
- InChI=1S/C11H12N2O/c14-11-8-10(12-6-7-13-11)9-4-2-1-3-5-9/h1-5,8,12H,6-7H2,(H,13,14)
- InChIKey
- QTBKTEDAGWNUEX-UHFFFAOYSA-N
- Compound name
- 7-phenyl-1,2,3,4-tetrahydro-1,4-diazepin-5-one
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 189.10224 | 139.6 |
[M+Na]+ | 211.08418 | 144.4 |
[M-H]- | 187.08768 | 141.7 |
[M+NH4]+ | 206.12878 | 153.8 |
[M+K]+ | 227.05812 | 144.3 |
[M+H-H2O]+ | 171.09222 | 131.9 |
[M+HCOO]- | 233.09316 | 156.4 |
[M+CH3COO]- | 247.10881 | 150.1 |
[M+Na-2H]- | 209.06963 | 145.3 |
[M]+ | 188.09441 | 130.5 |
[M]- | 188.09551 | 130.5 |