CID 481263

N-(tert-butyl)[3-(3-hydroxy-4-{[(4-methoxyphenyl)sulfonyl](2-methylpropyl)amino}butyl)(1,3-thiazolidin-4-yl)]carboxamide

Structural Information

Molecular Formula
C23H39N3O5S2
SMILES
CC(C)CN(CC(CCN1CSCC1C(=O)NC(C)(C)C)O)S(=O)(=O)C2=CC=C(C=C2)OC
InChI
InChI=1S/C23H39N3O5S2/c1-17(2)13-26(33(29,30)20-9-7-19(31-6)8-10-20)14-18(27)11-12-25-16-32-15-21(25)22(28)24-23(3,4)5/h7-10,17-18,21,27H,11-16H2,1-6H3,(H,24,28)
InChIKey
YJUYIUWNRIAJDU-UHFFFAOYSA-N
Compound name
N-tert-butyl-3-[3-hydroxy-4-[(4-methoxyphenyl)sulfonyl-(2-methylpropyl)amino]butyl]-1,3-thiazolidine-4-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

501.23312 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 502.24040 218.8
[M+Na]+ 524.22234 218.1
[M-H]- 500.22584 221.6
[M+NH4]+ 519.26694 225.5
[M+K]+ 540.19628 215.5
[M+H-H2O]+ 484.23038 211.2
[M+HCOO]- 546.23132 222.5
[M+CH3COO]- 560.24697 242.3
[M+Na-2H]- 522.20779 215.2
[M]+ 501.23257 223.3
[M]- 501.23367 223.3
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.