CID 4962794

878465-71-5

Structural Information

Molecular Formula
C12H8N2O2S2
SMILES
C1=CC=C(C=C1)NC2=NC3=C(S2)C=C(S3)C(=O)O
InChI
InChI=1S/C12H8N2O2S2/c15-11(16)9-6-8-10(17-9)14-12(18-8)13-7-4-2-1-3-5-7/h1-6H,(H,13,14)(H,15,16)
InChIKey
JELLTOYBWRCVJL-UHFFFAOYSA-N
Compound name
2-anilinothieno[2,3-d][1,3]thiazole-5-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

276.00272 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 277.009996 157.1
[M+Na]+ 298.991938 168.6
[M-H]- 274.995444 163.8
[M+NH4]+ 294.036543 176.9
[M+K]+ 314.965878 163.3
[M+H-H2O]+ 258.999980 152.4
[M+HCOO]- 321.000921 172.7
[M+CH3COO]- 335.016571 170.1
[M+Na-2H]- 296.977386 158.6
[M]+ 276.00217142 162.0
[M]- 276.00326858 162.0
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.