CID 85547979

Hexythiazox metabolite pt-1-2

Structural Information

Molecular Formula

C₁₁H₁₁ClN₂O₂S

SMILES

CC1C(SC(=O)N1C(=O)N)C2=CC=C(C=C2)Cl

InChI

InChI=1S/C11H11ClN2O2S/c1-6-9(7-2-4-8(12)5-3-7)17-11(16)14(6)10(13)15/h2-6,9H,1H3,(H2,13,15)

InChIKey

OWQQVISJIKLFDY-UHFFFAOYSA-N

Compound name

5-(4-chlorophenyl)-4-methyl-2-oxo-1,3-thiazolidine-3-carboxamide

Related CIDs

2D Structure

compound 2d structure

4
Annotation Hits: 0
References: 0
Patents: 270.02298 Da
Monoisotopic Mass: 2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	271.030256	158.5
[M+Na]+	293.012198	168.2
[M-H]-	269.015704	164.3
[M+NH4]+	288.056803	176.7
[M+K]+	308.986138	163.0
[M+H-H2O]+	253.020240	152.9
[M+HCOO]-	315.021181	170.9
[M+CH3COO]-	329.036831	195.2
[M+Na-2H]-	290.997646	155.9
[M]+	270.02243142	160.0
[M]-	270.02352858	160.0

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.