CID 2120107

2-[2-(2-methylphenyl)-2-oxoethylidene]-1,3-thiazolidin-4-one

Structural Information

Molecular Formula
C12H11NO2S
SMILES
CC1=CC=CC=C1C(=O)/C=C\2/NC(=O)CS2
InChI
InChI=1S/C12H11NO2S/c1-8-4-2-3-5-9(8)10(14)6-12-13-11(15)7-16-12/h2-6H,7H2,1H3,(H,13,15)/b12-6-
InChIKey
WIBUPYDOTYSKFW-SDQBBNPISA-N
Compound name
(2Z)-2-[2-(2-methylphenyl)-2-oxoethylidene]-1,3-thiazolidin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

5
References

0
Patents

233.05106 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 234.05834 152.8
[M+Na]+ 256.04028 163.5
[M+NH4]+ 251.08488 160.4
[M+K]+ 272.01422 157.3
[M-H]- 232.04378 154.6
[M+Na-2H]- 254.02573 157.4
[M]+ 233.05051 155.0
[M]- 233.05161 155.0
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.