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 155.6
[M+Na]+ 290.99654 165.8
[M-H]- 267.00004 161.0
[M+NH4]+ 286.04114 173.4
[M+K]+ 306.97048 160.1
[M+H-H2O]+ 251.00458 149.9
[M+HCOO]- 313.00552 169.9
[M+CH3COO]- 327.02117 192.9
[M+Na-2H]- 288.98199 156.2
[M]+ 268.00677 159.5
[M]- 268.00787 159.5
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.