CID 3068745
83736-68-9
Structural Information
- Molecular Formula
- C25H21F4N3O
- SMILES
- CN1C(CN=C(C2=CC=CC=C21)C3=CC=CC=C3F)CNC(=O)C4=CC=C(C=C4)C(F)(F)F
- InChI
- InChI=1S/C25H21F4N3O/c1-32-18(15-31-24(33)16-10-12-17(13-11-16)25(27,28)29)14-30-23(19-6-2-4-8-21(19)26)20-7-3-5-9-22(20)32/h2-13,18H,14-15H2,1H3,(H,31,33)
- InChIKey
- LOMWWLACDASCCW-UHFFFAOYSA-N
- Compound name
- N-[[5-(2-fluorophenyl)-1-methyl-2,3-dihydro-1,4-benzodiazepin-2-yl]methyl]-4-(trifluoromethyl)benzamide
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 456.16936 | 205.3 |
[M+Na]+ | 478.15130 | 212.4 |
[M-H]- | 454.15480 | 209.4 |
[M+NH4]+ | 473.19590 | 211.6 |
[M+K]+ | 494.12524 | 209.5 |
[M+H-H2O]+ | 438.15934 | 191.8 |
[M+HCOO]- | 500.16028 | 217.2 |
[M+CH3COO]- | 514.17593 | 211.9 |
[M+Na-2H]- | 476.13675 | 206.3 |
[M]+ | 455.16153 | 197.9 |
[M]- | 455.16263 | 197.9 |
Literature stripe
No literature data available for this compound.
Patent stripe
No patent data available for this compound.