CID 59317190
Glpg0492
Structural Information
- Molecular Formula
- C19H14F3N3O3
- SMILES
- CN1C(=O)N(C(=O)[C@@]1(CO)C2=CC=CC=C2)C3=CC(=C(C=C3)C#N)C(F)(F)F
- InChI
- InChI=1S/C19H14F3N3O3/c1-24-17(28)25(14-8-7-12(10-23)15(9-14)19(20,21)22)16(27)18(24,11-26)13-5-3-2-4-6-13/h2-9,26H,11H2,1H3/t18-/m1/s1
- InChIKey
- VAJGULUVTFDTAS-GOSISDBHSA-N
- Compound name
- 4-[(4S)-4-(hydroxymethyl)-3-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl]-2-(trifluoromethyl)benzonitrile
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 390.10600 | 186.2 |
[M+Na]+ | 412.08794 | 198.0 |
[M-H]- | 388.09144 | 187.3 |
[M+NH4]+ | 407.13254 | 196.4 |
[M+K]+ | 428.06188 | 190.0 |
[M+H-H2O]+ | 372.09598 | 168.9 |
[M+HCOO]- | 434.09692 | 197.0 |
[M+CH3COO]- | 448.11257 | 225.1 |
[M+Na-2H]- | 410.07339 | 185.0 |
[M]+ | 389.09817 | 177.8 |
[M]- | 389.09927 | 177.8 |