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

Adduct m/z Predicted CCS (Ų)
[M+H]+ 271.03026 158.5
[M+Na]+ 293.01220 168.2
[M-H]- 269.01570 164.3
[M+NH4]+ 288.05680 176.7
[M+K]+ 308.98614 163.0
[M+H-H2O]+ 253.02024 152.9
[M+HCOO]- 315.02118 170.9
[M+CH3COO]- 329.03683 195.2
[M+Na-2H]- 290.99765 155.9
[M]+ 270.02243 160.0
[M]- 270.02353 160.0
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.