CID 115423223

2-(3-chlorophenylamino)-5-methylthiazole-4-carboxylic acid

Structural Information

Molecular Formula
C11H9ClN2O2S
SMILES
CC1=C(N=C(S1)NC2=CC(=CC=C2)Cl)C(=O)O
InChI
InChI=1S/C11H9ClN2O2S/c1-6-9(10(15)16)14-11(17-6)13-8-4-2-3-7(12)5-8/h2-5H,1H3,(H,13,14)(H,15,16)
InChIKey
AXBQILFRSRYGCI-UHFFFAOYSA-N
Compound name
2-(3-chloroanilino)-5-methyl-1,3-thiazole-4-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

268.00732 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 269.01460 156.8
[M+Na]+ 290.99654 169.3
[M+NH4]+ 286.04114 164.9
[M+K]+ 306.97048 162.9
[M-H]- 267.00004 159.8
[M+Na-2H]- 288.98199 163.2
[M]+ 268.00677 160.1
[M]- 268.00787 160.1
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.