CID 43358936

3-[(1,3-thiazol-2-yl)amino]benzoic acid

Structural Information

Molecular Formula
C10H8N2O2S
SMILES
C1=CC(=CC(=C1)NC2=NC=CS2)C(=O)O
InChI
InChI=1S/C10H8N2O2S/c13-9(14)7-2-1-3-8(6-7)12-10-11-4-5-15-10/h1-6H,(H,11,12)(H,13,14)
InChIKey
HBIGPTCLOQMDDG-UHFFFAOYSA-N
Compound name
3-(1,3-thiazol-2-ylamino)benzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

220.03065 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 221.03793 144.8
[M+Na]+ 243.01987 153.1
[M-H]- 219.02337 149.7
[M+NH4]+ 238.06447 163.1
[M+K]+ 258.99381 149.3
[M+H-H2O]+ 203.02791 138.0
[M+HCOO]- 265.02885 164.1
[M+CH3COO]- 279.04450 183.8
[M+Na-2H]- 241.00532 147.7
[M]+ 220.03010 145.5
[M]- 220.03120 145.5
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