CID 1354855

303093-13-2

Structural Information

Molecular Formula
C13H12N2O3S
SMILES
C=CCN1C(=O)CSC1=NC2=CC=C(C=C2)C(=O)O
InChI
InChI=1S/C13H12N2O3S/c1-2-7-15-11(16)8-19-13(15)14-10-5-3-9(4-6-10)12(17)18/h2-6H,1,7-8H2,(H,17,18)
InChIKey
CFQNVNIGKFVADR-UHFFFAOYSA-N
Compound name
4-[(4-oxo-3-prop-2-enyl-1,3-thiazolidin-2-ylidene)amino]benzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

8
References

0
Patents

276.05685 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 277.06413 163.3
[M+Na]+ 299.04607 172.9
[M+NH4]+ 294.09067 169.6
[M+K]+ 315.02001 167.3
[M-H]- 275.04957 165.0
[M+Na-2H]- 297.03152 167.2
[M]+ 276.05630 165.2
[M]- 276.05740 165.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.