CID 481334

((4r)-3-{2-hydroxy-3-[(2-methylpropyl)(phenylsulfonyl)amino]propyl}(1,3-thiazolidin-4-yl))-n-(tert-butyl)carboxamide

Structural Information

Molecular Formula
C21H35N3O4S2
SMILES
CC(C)CN(CC(CN1CSC[C@H]1C(=O)NC(C)(C)C)O)S(=O)(=O)C2=CC=CC=C2
InChI
InChI=1S/C21H35N3O4S2/c1-16(2)11-24(30(27,28)18-9-7-6-8-10-18)13-17(25)12-23-15-29-14-19(23)20(26)22-21(3,4)5/h6-10,16-17,19,25H,11-15H2,1-5H3,(H,22,26)/t17?,19-/m0/s1
InChIKey
WFHHYXWTERFQED-NNBQYGFHSA-N
Compound name
(4R)-3-[3-[benzenesulfonyl(2-methylpropyl)amino]-2-hydroxypropyl]-N-tert-butyl-1,3-thiazolidine-4-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

457.2069 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 458.21418 208.5
[M+Na]+ 480.19612 208.5
[M-H]- 456.19962 211.5
[M+NH4]+ 475.24072 216.9
[M+K]+ 496.17006 205.4
[M+H-H2O]+ 440.20416 201.0
[M+HCOO]- 502.20510 212.7
[M+CH3COO]- 516.22075 233.3
[M+Na-2H]- 478.18157 205.5
[M]+ 457.20635 210.7
[M]- 457.20745 210.7
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.