CID 116435

4,5-thiazoledicarboxylic acid, 2-sulfanilamido-, sodium salt

Structural Information

Molecular Formula
C11H9N3O6S2
SMILES
C1=CC(=CC=C1N)S(=O)(=O)NC2=NC(=C(S2)C(=O)O)C(=O)O
InChI
InChI=1S/C11H9N3O6S2/c12-5-1-3-6(4-2-5)22(19,20)14-11-13-7(9(15)16)8(21-11)10(17)18/h1-4H,12H2,(H,13,14)(H,15,16)(H,17,18)
InChIKey
AJDRFYRJQOGDTJ-UHFFFAOYSA-N
Compound name
2-[(4-aminophenyl)sulfonylamino]-1,3-thiazole-4,5-dicarboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

342.9933 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 344.00058 171.9
[M+Na]+ 365.98252 178.6
[M-H]- 341.98602 174.3
[M+NH4]+ 361.02712 183.3
[M+K]+ 381.95646 173.6
[M+H-H2O]+ 325.99056 165.3
[M+HCOO]- 387.99150 182.3
[M+CH3COO]- 402.00715 204.5
[M+Na-2H]- 363.96797 172.4
[M]+ 342.99275 173.1
[M]- 342.99385 173.1
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.