CID 5273714

Chembl360125

Structural Information

Molecular Formula
C17H12N2O4S
SMILES
C1=CC=C(C=C1)OC2=CC=C(C=C2)C(=O)NC3=NC=C(S3)C(=O)O
InChI
InChI=1S/C17H12N2O4S/c20-15(19-17-18-10-14(24-17)16(21)22)11-6-8-13(9-7-11)23-12-4-2-1-3-5-12/h1-10H,(H,21,22)(H,18,19,20)
InChIKey
SFTKMQJXDJTOSO-UHFFFAOYSA-N
Compound name
2-[(4-phenoxybenzoyl)amino]-1,3-thiazole-5-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

340.0518 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 341.05908 176.0
[M+Na]+ 363.04102 182.9
[M-H]- 339.04452 183.9
[M+NH4]+ 358.08562 188.8
[M+K]+ 379.01496 178.3
[M+H-H2O]+ 323.04906 167.7
[M+HCOO]- 385.05000 194.0
[M+CH3COO]- 399.06565 205.8
[M+Na-2H]- 361.02647 176.7
[M]+ 340.05125 178.5
[M]- 340.05235 178.5
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.