CID 70816331
Schembl12982663
Structural Information
- Molecular Formula
- C25H27F4N3O2
- SMILES
- CC(C)C1=CC(=CC=C1)N2C(=CC(=N2)C(F)(F)F)CNC(=O)C(C)C3=CC(=C(C=C3)CCO)F
- InChI
- InChI=1S/C25H27F4N3O2/c1-15(2)18-5-4-6-20(11-18)32-21(13-23(31-32)25(27,28)29)14-30-24(34)16(3)19-8-7-17(9-10-33)22(26)12-19/h4-8,11-13,15-16,33H,9-10,14H2,1-3H3,(H,30,34)
- InChIKey
- VKEXSUFTMBHDFU-UHFFFAOYSA-N
- Compound name
- 2-[3-fluoro-4-(2-hydroxyethyl)phenyl]-N-[[2-(3-propan-2-ylphenyl)-5-(trifluoromethyl)pyrazol-3-yl]methyl]propanamide
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 478.21123 | 214.1 |
[M+Na]+ | 500.19317 | 220.0 |
[M-H]- | 476.19667 | 215.2 |
[M+NH4]+ | 495.23777 | 220.0 |
[M+K]+ | 516.16711 | 213.2 |
[M+H-H2O]+ | 460.20121 | 200.8 |
[M+HCOO]- | 522.20215 | 225.3 |
[M+CH3COO]- | 536.21780 | 239.6 |
[M+Na-2H]- | 498.17862 | 208.2 |
[M]+ | 477.20340 | 211.0 |
[M]- | 477.20450 | 211.0 |
Literature stripe
No literature data available for this compound.