CID 17535118

2-(2,3-dimethoxyphenyl)-1,3-thiazole-4-carboxylic acid

Structural Information

Molecular Formula
C12H11NO4S
SMILES
COC1=CC=CC(=C1OC)C2=NC(=CS2)C(=O)O
InChI
InChI=1S/C12H11NO4S/c1-16-9-5-3-4-7(10(9)17-2)11-13-8(6-18-11)12(14)15/h3-6H,1-2H3,(H,14,15)
InChIKey
LZGFKWQSOKFMQT-UHFFFAOYSA-N
Compound name
2-(2,3-dimethoxyphenyl)-1,3-thiazole-4-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

265.0409 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 266.04818 156.1
[M+Na]+ 288.03012 165.7
[M-H]- 264.03362 161.5
[M+NH4]+ 283.07472 173.3
[M+K]+ 304.00406 162.8
[M+H-H2O]+ 248.03816 149.6
[M+HCOO]- 310.03910 174.2
[M+CH3COO]- 324.05475 191.4
[M+Na-2H]- 286.01557 156.3
[M]+ 265.04035 161.9
[M]- 265.04145 161.9
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.