CID 2763625

4-methyl-2-(4-methylphenyl)-1,3-thiazole-5-carboxylic acid

Structural Information

Molecular Formula
C12H11NO2S
SMILES
CC1=CC=C(C=C1)C2=NC(=C(S2)C(=O)O)C
InChI
InChI=1S/C12H11NO2S/c1-7-3-5-9(6-4-7)11-13-8(2)10(16-11)12(14)15/h3-6H,1-2H3,(H,14,15)
InChIKey
AJUWPIKGVOGPRL-UHFFFAOYSA-N
Compound name
4-methyl-2-(4-methylphenyl)-1,3-thiazole-5-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

70
Patents

233.05106 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 234.05834 151.2
[M+Na]+ 256.04028 164.0
[M+NH4]+ 251.08488 159.5
[M+K]+ 272.01422 157.9
[M-H]- 232.04378 154.0
[M+Na-2H]- 254.02573 157.5
[M]+ 233.05051 154.2
[M]- 233.05161 154.2
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

patents stripe