CID 16078219

5-oxazolidinecarboxamide, n-[(1s,2r)-2-hydroxy-3-[[(3-fluoro-4-methoxyphenyl)sulfonyl](2-methylpropyl)amino]-1-(phenylmethyl)propyl]-2-oxo-3-(3-trifluoromethylphenyl)-, (5s)-

Structural Information

Molecular Formula
C32H35F4N3O7S
SMILES
CC(C)CN(C[C@H]([C@H](CC1=CC=CC=C1)NC(=O)[C@@H]2CN(C(=O)O2)C3=CC=CC(=C3)C(F)(F)F)O)S(=O)(=O)C4=CC(=C(C=C4)OC)F
InChI
InChI=1S/C32H35F4N3O7S/c1-20(2)17-38(47(43,44)24-12-13-28(45-3)25(33)16-24)18-27(40)26(14-21-8-5-4-6-9-21)37-30(41)29-19-39(31(42)46-29)23-11-7-10-22(15-23)32(34,35)36/h4-13,15-16,20,26-27,29,40H,14,17-19H2,1-3H3,(H,37,41)/t26-,27+,29-/m0/s1
InChIKey
GOKNBQOQISRCDE-GKRYNVPLSA-N
Compound name
(5S)-N-[(2S,3R)-4-[(3-fluoro-4-methoxyphenyl)sulfonyl-(2-methylpropyl)amino]-3-hydroxy-1-phenylbutan-2-yl]-2-oxo-3-[3-(trifluoromethyl)phenyl]-1,3-oxazolidine-5-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

3
Patents

681.2132 Da
Monoisotopic Mass

5.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 682.22048 252.9
[M+Na]+ 704.20242 252.9
[M-H]- 680.20592 258.6
[M+NH4]+ 699.24702 249.6
[M+K]+ 720.17636 251.6
[M+H-H2O]+ 664.21046 240.0
[M+HCOO]- 726.21140 256.4
[M+CH3COO]- 740.22705 275.7
[M+Na-2H]- 702.18787 247.4
[M]+ 681.21265 253.8
[M]- 681.21375 253.8
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