CID 71481097
Selinexor
Structural Information
- Molecular Formula
- C17H11F6N7O
- SMILES
- C1=CN=C(C=N1)NNC(=O)/C=C\N2C=NC(=N2)C3=CC(=CC(=C3)C(F)(F)F)C(F)(F)F
- InChI
- InChI=1S/C17H11F6N7O/c18-16(19,20)11-5-10(6-12(7-11)17(21,22)23)15-26-9-30(29-15)4-1-14(31)28-27-13-8-24-2-3-25-13/h1-9H,(H,25,27)(H,28,31)/b4-1-
- InChIKey
- DEVSOMFAQLZNKR-RJRFIUFISA-N
- Compound name
- (Z)-3-[3-[3,5-bis(trifluoromethyl)phenyl]-1,2,4-triazol-1-yl]-N'-pyrazin-2-ylprop-2-enehydrazide
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 444.10021 | 195.8 |
[M+Na]+ | 466.08215 | 204.6 |
[M-H]- | 442.08565 | 192.8 |
[M+NH4]+ | 461.12675 | 199.1 |
[M+K]+ | 482.05609 | 196.3 |
[M+H-H2O]+ | 426.09019 | 179.4 |
[M+HCOO]- | 488.09113 | 206.4 |
[M+CH3COO]- | 502.10678 | 229.4 |
[M+Na-2H]- | 464.06760 | 198.9 |
[M]+ | 443.09238 | 188.1 |
[M]- | 443.09348 | 188.1 |