CID 10205198
Chembl231557
Structural Information
- Molecular Formula
- C23H21BrFN5
- SMILES
- CC1=CC(=CN2C1=NC(=C2C3=NC(=NC=C3)NC4CCCC4)C5=CC=C(C=C5)F)Br
- InChI
- InChI=1S/C23H21BrFN5/c1-14-12-16(24)13-30-21(20(29-22(14)30)15-6-8-17(25)9-7-15)19-10-11-26-23(28-19)27-18-4-2-3-5-18/h6-13,18H,2-5H2,1H3,(H,26,27,28)
- InChIKey
- KLWNBJWBJACQJR-UHFFFAOYSA-N
- Compound name
- 4-[6-bromo-2-(4-fluorophenyl)-8-methylimidazo[1,2-a]pyridin-3-yl]-N-cyclopentylpyrimidin-2-amine
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 466.10372 | 204.5 |
[M+Na]+ | 488.08566 | 216.3 |
[M-H]- | 464.08916 | 215.2 |
[M+NH4]+ | 483.13026 | 215.8 |
[M+K]+ | 504.05960 | 201.9 |
[M+H-H2O]+ | 448.09370 | 199.5 |
[M+HCOO]- | 510.09464 | 220.7 |
[M+CH3COO]- | 524.11029 | 215.0 |
[M+Na-2H]- | 486.07111 | 204.4 |
[M]+ | 465.09589 | 221.8 |
[M]- | 465.09699 | 221.8 |