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

0
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]+ 234.058336 151.8
[M+Na]+ 256.040278 159.6
[M-H]- 232.043784 156.1
[M+NH4]+ 251.084883 170.0
[M+K]+ 272.014218 154.8
[M+H-H2O]+ 216.048320 145.6
[M+HCOO]- 278.049261 166.9
[M+CH3COO]- 292.064911 184.4
[M+Na-2H]- 254.025726 150.4
[M]+ 233.05051142 150.1
[M]- 233.05160858 150.1
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.