CID 16078209

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

Structural Information

Molecular Formula
C31H35F3N4O6S
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)N
InChI
InChI=1S/C31H35F3N4O6S/c1-20(2)17-37(45(42,43)25-13-11-23(35)12-14-25)18-27(39)26(15-21-7-4-3-5-8-21)36-29(40)28-19-38(30(41)44-28)24-10-6-9-22(16-24)31(32,33)34/h3-14,16,20,26-28,39H,15,17-19,35H2,1-2H3,(H,36,40)/t26-,27+,28-/m0/s1
InChIKey
IKIBOJUXKVIMKQ-IARZGTGTSA-N
Compound name
(5S)-N-[(2S,3R)-4-[(4-aminophenyl)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

2
Patents

648.22296 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 649.23024 245.9
[M+Na]+ 671.21218 245.0
[M-H]- 647.21568 252.2
[M+NH4]+ 666.25678 243.4
[M+K]+ 687.18612 243.2
[M+H-H2O]+ 631.22022 233.7
[M+HCOO]- 693.22116 251.1
[M+CH3COO]- 707.23681 272.1
[M+Na-2H]- 669.19763 241.7
[M]+ 648.22241 244.3
[M]- 648.22351 244.3
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