CID 11633038
Nivocasan
Structural Information
- Molecular Formula
- C21H22FN3O5
- SMILES
- CC(C)[C@]1(CC(=NO1)C2=NC=CC3=CC=CC=C32)C(=O)N[C@H]4CC(=O)O[C@@]4(CF)O
- InChI
- InChI=1S/C21H22FN3O5/c1-12(2)20(19(27)24-16-9-17(26)29-21(16,28)11-22)10-15(25-30-20)18-14-6-4-3-5-13(14)7-8-23-18/h3-8,12,16,28H,9-11H2,1-2H3,(H,24,27)/t16-,20+,21+/m0/s1
- InChIKey
- VYFGDLGHHBUDTQ-ZLGUVYLKSA-N
- Compound name
- (5R)-N-[(2S,3S)-2-(fluoromethyl)-2-hydroxy-5-oxooxolan-3-yl]-3-isoquinolin-1-yl-5-propan-2-yl-4H-1,2-oxazole-5-carboxamide
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 416.16164 | 193.6 |
[M+Na]+ | 438.14358 | 200.5 |
[M-H]- | 414.14708 | 200.9 |
[M+NH4]+ | 433.18818 | 205.6 |
[M+K]+ | 454.11752 | 198.9 |
[M+H-H2O]+ | 398.15162 | 185.4 |
[M+HCOO]- | 460.15256 | 207.2 |
[M+CH3COO]- | 474.16821 | 202.6 |
[M+Na-2H]- | 436.12903 | 193.5 |
[M]+ | 415.15381 | 194.5 |
[M]- | 415.15491 | 194.5 |