CID 16078204

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

Structural Information

Molecular Formula
C32H36F3N3O7S
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
InChI
InChI=1S/C32H36F3N3O7S/c1-21(2)18-37(46(42,43)26-14-12-25(44-3)13-15-26)19-28(39)27(16-22-8-5-4-6-9-22)36-30(40)29-20-38(31(41)45-29)24-11-7-10-23(17-24)32(33,34)35/h4-15,17,21,27-29,39H,16,18-20H2,1-3H3,(H,36,40)/t27-,28+,29-/m0/s1
InChIKey
DDUYAVRQCCSESZ-NHKHRBQYSA-N
Compound name
(5S)-N-[(2S,3R)-3-hydroxy-4-[(4-methoxyphenyl)sulfonyl-(2-methylpropyl)amino]-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

3
References

3
Patents

663.2226 Da
Monoisotopic Mass

5.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 664.22988 249.7
[M+Na]+ 686.21182 248.8
[M-H]- 662.21532 256.3
[M+NH4]+ 681.25642 246.9
[M+K]+ 702.18576 247.8
[M+H-H2O]+ 646.21986 237.4
[M+HCOO]- 708.22080 254.3
[M+CH3COO]- 722.23645 271.9
[M+Na-2H]- 684.19727 245.3
[M]+ 663.22205 251.2
[M]- 663.22315 251.2
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