CID 214916
34580-73-9
Structural Information
- Molecular Formula
- C16H14F3N3O2
- SMILES
- C1=CC(=CC(=C1)N2C3=C(C=CC=N3)C(=N2)OCCCO)C(F)(F)F
- InChI
- InChI=1S/C16H14F3N3O2/c17-16(18,19)11-4-1-5-12(10-11)22-14-13(6-2-7-20-14)15(21-22)24-9-3-8-23/h1-2,4-7,10,23H,3,8-9H2
- InChIKey
- CKSQKNFCWOAKOE-UHFFFAOYSA-N
- Compound name
- 3-[1-[3-(trifluoromethyl)phenyl]pyrazolo[3,4-b]pyridin-3-yl]oxypropan-1-ol
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 338.11110 | 175.3 |
[M+Na]+ | 360.09304 | 186.0 |
[M-H]- | 336.09654 | 174.6 |
[M+NH4]+ | 355.13764 | 187.1 |
[M+K]+ | 376.06698 | 179.6 |
[M+H-H2O]+ | 320.10108 | 163.5 |
[M+HCOO]- | 382.10202 | 190.9 |
[M+CH3COO]- | 396.11767 | 206.2 |
[M+Na-2H]- | 358.07849 | 179.8 |
[M]+ | 337.10327 | 175.8 |
[M]- | 337.10437 | 175.8 |
Literature stripe
No literature data available for this compound.
Patent stripe
No patent data available for this compound.