CID 453753
Chembl160889
Structural Information
- Molecular Formula
- C20H23F3N3O4P
- SMILES
- COP(=O)(C(CC1=CC=CC=C1)NC(=O)C(F)(F)F)N[C@@H](CC2=CC=CC=C2)C(=O)N
- InChI
- InChI=1S/C20H23F3N3O4P/c1-30-31(29,26-16(18(24)27)12-14-8-4-2-5-9-14)17(25-19(28)20(21,22)23)13-15-10-6-3-7-11-15/h2-11,16-17H,12-13H2,1H3,(H2,24,27)(H,25,28)(H,26,29)/t16-,17?,31?/m0/s1
- InChIKey
- LNMWZPXSXFGLJI-IMPAOIIRSA-N
- Compound name
- (2S)-2-[[methoxy-[2-phenyl-1-[(2,2,2-trifluoroacetyl)amino]ethyl]phosphoryl]amino]-3-phenylpropanamide
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 458.14510 | 204.2 |
[M+Na]+ | 480.12704 | 204.8 |
[M-H]- | 456.13054 | 203.9 |
[M+NH4]+ | 475.17164 | 210.6 |
[M+K]+ | 496.10098 | 202.6 |
[M+H-H2O]+ | 440.13508 | 190.2 |
[M+HCOO]- | 502.13602 | 224.8 |
[M+CH3COO]- | 516.15167 | 238.2 |
[M+Na-2H]- | 478.11249 | 201.8 |
[M]+ | 457.13727 | 199.5 |
[M]- | 457.13837 | 199.5 |
Literature stripe
No literature data available for this compound.
Patent stripe
No patent data available for this compound.