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

compound 2d structure
1
Annotation Hits

0
References

0
Patents

457.13782 Da
Monoisotopic Mass

2.7
XlogP (predicted)

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
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.