CID 5275701
Schembl6183945
Structural Information
- Molecular Formula
- C28H25FN6
- SMILES
- C1CCC(C1)NC2=CC=CC3=C(C(=NN32)C4=CC=C(C=C4)F)C5=NC(=NC=C5)NC6=CC=CC=C6
- InChI
- InChI=1S/C28H25FN6/c29-20-15-13-19(14-16-20)27-26(23-17-18-30-28(33-23)32-22-7-2-1-3-8-22)24-11-6-12-25(35(24)34-27)31-21-9-4-5-10-21/h1-3,6-8,11-18,21,31H,4-5,9-10H2,(H,30,32,33)
- InChIKey
- OFOAKCMMBIGVCF-UHFFFAOYSA-N
- Compound name
- 3-(2-anilinopyrimidin-4-yl)-N-cyclopentyl-2-(4-fluorophenyl)pyrazolo[1,5-a]pyridin-7-amine
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 465.21974 | 205.4 |
[M+Na]+ | 487.20168 | 212.1 |
[M-H]- | 463.20518 | 216.2 |
[M+NH4]+ | 482.24628 | 211.0 |
[M+K]+ | 503.17562 | 202.1 |
[M+H-H2O]+ | 447.20972 | 190.7 |
[M+HCOO]- | 509.21066 | 223.8 |
[M+CH3COO]- | 523.22631 | 212.7 |
[M+Na-2H]- | 485.18713 | 206.2 |
[M]+ | 464.21191 | 202.4 |
[M]- | 464.21301 | 202.4 |