CID 481171

(4r)-n-tert-butyl-3-[2-hydroxy-3-[isobutyl-(4-methoxyphenyl)sulfonyl-amino]propyl]thiazolidine-4-carboxamide

Structural Information

Molecular Formula
C22H37N3O5S2
SMILES
CC(C)CN(CC(CN1CSC[C@H]1C(=O)NC(C)(C)C)O)S(=O)(=O)C2=CC=C(C=C2)OC
InChI
InChI=1S/C22H37N3O5S2/c1-16(2)11-25(32(28,29)19-9-7-18(30-6)8-10-19)13-17(26)12-24-15-31-14-20(24)21(27)23-22(3,4)5/h7-10,16-17,20,26H,11-15H2,1-6H3,(H,23,27)/t17?,20-/m0/s1
InChIKey
JGGJGWBAENWETI-OZBJMMHXSA-N
Compound name
(4R)-N-tert-butyl-3-[2-hydroxy-3-[(4-methoxyphenyl)sulfonyl-(2-methylpropyl)amino]propyl]-1,3-thiazolidine-4-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

487.21747 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 488.22475 214.8
[M+Na]+ 510.20669 214.6
[M-H]- 486.21019 217.8
[M+NH4]+ 505.25129 222.1
[M+K]+ 526.18063 212.2
[M+H-H2O]+ 470.21473 207.4
[M+HCOO]- 532.21567 218.9
[M+CH3COO]- 546.23132 239.5
[M+Na-2H]- 508.19214 211.6
[M]+ 487.21692 219.1
[M]- 487.21802 219.1
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.