CID 704421

315702-87-5

Structural Information

Molecular Formula
C15H11N3O2S
SMILES
C1=CC=NC(=C1)C2=CSC(=N2)NC3=CC=CC(=C3)C(=O)O
InChI
InChI=1S/C15H11N3O2S/c19-14(20)10-4-3-5-11(8-10)17-15-18-13(9-21-15)12-6-1-2-7-16-12/h1-9H,(H,17,18)(H,19,20)
InChIKey
AHNQVGWWBKRTON-UHFFFAOYSA-N
Compound name
3-[(4-pyridin-2-yl-1,3-thiazol-2-yl)amino]benzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

0
Patents

297.0572 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 298.06448 164.8
[M+Na]+ 320.04642 178.2
[M+NH4]+ 315.09102 172.5
[M+K]+ 336.02036 171.5
[M-H]- 296.04992 169.8
[M+Na-2H]- 318.03187 174.3
[M]+ 297.05665 168.5
[M]- 297.05775 168.5
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.