CID 154048
Opaviraline
Structural Information
- Molecular Formula
- C14H17FN2O3
- SMILES
- CC[C@H]1C(=O)NC2=C(N1C(=O)OC(C)C)C=C(C=C2)F
- InChI
- InChI=1S/C14H17FN2O3/c1-4-11-13(18)16-10-6-5-9(15)7-12(10)17(11)14(19)20-8(2)3/h5-8,11H,4H2,1-3H3,(H,16,18)/t11-/m0/s1
- InChIKey
- KELNNWMENBUHNS-NSHDSACASA-N
- Compound name
- propan-2-yl (2S)-2-ethyl-7-fluoro-3-oxo-2,4-dihydroquinoxaline-1-carboxylate
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 281.12958 | 163.7 |
[M+Na]+ | 303.11152 | 171.6 |
[M-H]- | 279.11502 | 162.8 |
[M+NH4]+ | 298.15612 | 177.8 |
[M+K]+ | 319.08546 | 168.0 |
[M+H-H2O]+ | 263.11956 | 155.4 |
[M+HCOO]- | 325.12050 | 177.3 |
[M+CH3COO]- | 339.13615 | 199.8 |
[M+Na-2H]- | 301.09697 | 164.3 |
[M]+ | 280.12175 | 162.4 |
[M]- | 280.12285 | 162.4 |