CID 481371

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

Structural Information

Molecular Formula
C22H37N3O4S2
SMILES
CC(C)CN(CC(CCN1CSC[C@@H]1C(=O)NC(C)(C)C)O)S(=O)(=O)C2=CC=CC=C2
InChI
InChI=1S/C22H37N3O4S2/c1-17(2)13-25(31(28,29)19-9-7-6-8-10-19)14-18(26)11-12-24-16-30-15-20(24)21(27)23-22(3,4)5/h6-10,17-18,20,26H,11-16H2,1-5H3,(H,23,27)/t18?,20-/m1/s1
InChIKey
DPLCDUUOBRECLA-ROPPNANJSA-N
Compound name
(4S)-3-[4-[benzenesulfonyl(2-methylpropyl)amino]-3-hydroxybutyl]-N-tert-butyl-1,3-thiazolidine-4-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

471.22253 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 472.22981 212.4
[M+Na]+ 494.21175 212.0
[M-H]- 470.21525 215.2
[M+NH4]+ 489.25635 220.3
[M+K]+ 510.18569 208.7
[M+H-H2O]+ 454.21979 204.8
[M+HCOO]- 516.22073 216.4
[M+CH3COO]- 530.23638 236.1
[M+Na-2H]- 492.19720 209.1
[M]+ 471.22198 215.0
[M]- 471.22308 215.0
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.