CID 56650312
Rgfp966
Structural Information
- Molecular Formula
- C21H19FN4O
- SMILES
- C1=CC=C(C=C1)/C=C/CN2C=C(C=N2)/C=C/C(=O)NC3=C(C=C(C=C3)F)N
- InChI
- InChI=1S/C21H19FN4O/c22-18-9-10-20(19(23)13-18)25-21(27)11-8-17-14-24-26(15-17)12-4-7-16-5-2-1-3-6-16/h1-11,13-15H,12,23H2,(H,25,27)/b7-4+,11-8+
- InChIKey
- BLVQHYHDYFTPDV-VCABWLAWSA-N
- Compound name
- (E)-N-(2-amino-4-fluorophenyl)-3-[1-[(E)-3-phenylprop-2-enyl]pyrazol-4-yl]prop-2-enamide
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 363.16158 | 187.0 |
[M+Na]+ | 385.14352 | 193.5 |
[M-H]- | 361.14702 | 192.4 |
[M+NH4]+ | 380.18812 | 197.4 |
[M+K]+ | 401.11746 | 185.5 |
[M+H-H2O]+ | 345.15156 | 175.3 |
[M+HCOO]- | 407.15250 | 208.7 |
[M+CH3COO]- | 421.16815 | 218.1 |
[M+Na-2H]- | 383.12897 | 187.4 |
[M]+ | 362.15375 | 184.0 |
[M]- | 362.15485 | 184.0 |