CID 457342
Chembl23963
Structural Information
- Molecular Formula
- C17H17F3N6O
- SMILES
- CC1=C2C(=NC(=NC2=NC=C1CNC3=CC(=CC(=C3)C(F)(F)F)OC)N)N
- InChI
- InChI=1S/C17H17F3N6O/c1-8-9(7-24-15-13(8)14(21)25-16(22)26-15)6-23-11-3-10(17(18,19)20)4-12(5-11)27-2/h3-5,7,23H,6H2,1-2H3,(H4,21,22,24,25,26)
- InChIKey
- FLPMIYWQXAHVEM-UHFFFAOYSA-N
- Compound name
- 6-[[3-methoxy-5-(trifluoromethyl)anilino]methyl]-5-methylpyrido[2,3-d]pyrimidine-2,4-diamine
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 379.14888 | 191.3 |
[M+Na]+ | 401.13082 | 201.5 |
[M-H]- | 377.13432 | 191.4 |
[M+NH4]+ | 396.17542 | 199.5 |
[M+K]+ | 417.10476 | 194.5 |
[M+H-H2O]+ | 361.13886 | 178.5 |
[M+HCOO]- | 423.13980 | 207.3 |
[M+CH3COO]- | 437.15545 | 228.1 |
[M+Na-2H]- | 399.11627 | 195.2 |
[M]+ | 378.14105 | 187.8 |
[M]- | 378.14215 | 187.8 |