CID 139598123

Hexythiazox metabolite pt-1-4

Structural Information

Molecular Formula
C17H21ClN2O3S
SMILES
CC1C(SC(=O)N1C(=O)NC2CCCC(C2)O)C3=CC=C(C=C3)Cl
InChI
InChI=1S/C17H21ClN2O3S/c1-10-15(11-5-7-12(18)8-6-11)24-17(23)20(10)16(22)19-13-3-2-4-14(21)9-13/h5-8,10,13-15,21H,2-4,9H2,1H3,(H,19,22)
InChIKey
YYJAZEZUXISPLL-UHFFFAOYSA-N
Compound name
5-(4-chlorophenyl)-N-(3-hydroxycyclohexyl)-4-methyl-2-oxo-1,3-thiazolidine-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

0
Patents

368.09613 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 369.10341 183.7
[M+Na]+ 391.08535 193.6
[M+NH4]+ 386.12995 190.9
[M+K]+ 407.05929 187.4
[M-H]- 367.08885 187.7
[M+Na-2H]- 389.07080 187.7
[M]+ 368.09558 186.6
[M]- 368.09668 186.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.