CID 481205

(4s)-3-(3-{(cyclopentylmethyl)[(4-methoxyphenyl)sulfonyl]amino}-2-hydroxypropyl)-4-benzyl-1,3-oxazolidin-2-one

Structural Information

Molecular Formula
C26H34N2O6S
SMILES
COC1=CC=C(C=C1)S(=O)(=O)N(CC2CCCC2)CC(CN3[C@H](COC3=O)CC4=CC=CC=C4)O
InChI
InChI=1S/C26H34N2O6S/c1-33-24-11-13-25(14-12-24)35(31,32)27(16-21-9-5-6-10-21)17-23(29)18-28-22(19-34-26(28)30)15-20-7-3-2-4-8-20/h2-4,7-8,11-14,21-23,29H,5-6,9-10,15-19H2,1H3/t22-,23?/m0/s1
InChIKey
MJZRNKNFJITYEZ-NQCNTLBGSA-N
Compound name
N-[3-[(4S)-4-benzyl-2-oxo-1,3-oxazolidin-3-yl]-2-hydroxypropyl]-N-(cyclopentylmethyl)-4-methoxybenzenesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

502.21375 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 503.22103 218.8
[M+Na]+ 525.20297 219.9
[M-H]- 501.20647 229.9
[M+NH4]+ 520.24757 225.4
[M+K]+ 541.17691 218.3
[M+H-H2O]+ 485.21101 210.8
[M+HCOO]- 547.21195 230.1
[M+CH3COO]- 561.22760 238.1
[M+Na-2H]- 523.18842 213.9
[M]+ 502.21320 221.7
[M]- 502.21430 221.7
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.