CID 3047261
1h-imidazo(1,2-a)(1,4)benzodiazepin-1-one, 2,4-dihydro-8-chloro-2-(1-methyl-2-piperidinylidene)-6-phenyl-
Structural Information
- Molecular Formula
- C23H21ClN4O
- SMILES
- CN\1CCCC/C1=C\2/C(=O)N3C(=N2)CN=C(C4=C3C=CC(=C4)Cl)C5=CC=CC=C5
- InChI
- InChI=1S/C23H21ClN4O/c1-27-12-6-5-9-19(27)22-23(29)28-18-11-10-16(24)13-17(18)21(25-14-20(28)26-22)15-7-3-2-4-8-15/h2-4,7-8,10-11,13H,5-6,9,12,14H2,1H3/b22-19+
- InChIKey
- MECSLUXIUWHGCR-ZBJSNUHESA-N
- Compound name
- (2E)-8-chloro-2-(1-methylpiperidin-2-ylidene)-6-phenyl-4H-imidazo[1,2-a][1,4]benzodiazepin-1-one
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 405.14766 | 202.2 |
[M+Na]+ | 427.12960 | 211.7 |
[M-H]- | 403.13310 | 208.9 |
[M+NH4]+ | 422.17420 | 211.6 |
[M+K]+ | 443.10354 | 205.8 |
[M+H-H2O]+ | 387.13764 | 189.1 |
[M+HCOO]- | 449.13858 | 209.8 |
[M+CH3COO]- | 463.15423 | 209.7 |
[M+Na-2H]- | 425.11505 | 200.6 |
[M]+ | 404.13983 | 197.7 |
[M]- | 404.14093 | 197.7 |
Literature stripe
Patent stripe
No patent data available for this compound.