CID 131536

Fosamprenavir

Structural Information

Molecular Formula
C25H36N3O9PS
SMILES
CC(C)CN(C[C@H]([C@H](CC1=CC=CC=C1)NC(=O)O[C@H]2CCOC2)OP(=O)(O)O)S(=O)(=O)C3=CC=C(C=C3)N
InChI
InChI=1S/C25H36N3O9PS/c1-18(2)15-28(39(33,34)22-10-8-20(26)9-11-22)16-24(37-38(30,31)32)23(14-19-6-4-3-5-7-19)27-25(29)36-21-12-13-35-17-21/h3-11,18,21,23-24H,12-17,26H2,1-2H3,(H,27,29)(H2,30,31,32)/t21-,23-,24+/m0/s1
InChIKey
MLBVMOWEQCZNCC-OEMFJLHTSA-N
Compound name
[(3S)-oxolan-3-yl] N-[(2S,3R)-4-[(4-aminophenyl)sulfonyl-(2-methylpropyl)amino]-1-phenyl-3-phosphonooxybutan-2-yl]carbamate
Related CIDs

2D Structure

compound 2d structure
6
Annotation Hits

304
References

21814
Patents

585.191 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 586.19828 223.6
[M+Na]+ 608.18022 223.6
[M+NH4]+ 603.22482 223.1
[M+K]+ 624.15416 226.4
[M-H]- 584.18372 224.0
[M+Na-2H]- 606.16567 224.7
[M]+ 585.19045 223.1
[M]- 585.19155 223.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe