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

1
Patents

265.0409 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 266.048176 156.1
[M+Na]+ 288.030118 165.7
[M-H]- 264.033624 161.5
[M+NH4]+ 283.074723 173.3
[M+K]+ 304.004058 162.8
[M+H-H2O]+ 248.038160 149.6
[M+HCOO]- 310.039101 174.2
[M+CH3COO]- 324.054751 191.4
[M+Na-2H]- 286.015566 156.3
[M]+ 265.04035142 161.9
[M]- 265.04144858 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

patents stripe