CID 10215322

Schembl5196774

Structural Information

Molecular Formula
C18H14N2O3S
SMILES
CC1=CC(=CC=C1)C(=O)NC2=C(SC(=N2)C3=CC=CC=C3)C(=O)O
InChI
InChI=1S/C18H14N2O3S/c1-11-6-5-9-13(10-11)16(21)19-15-14(18(22)23)24-17(20-15)12-7-3-2-4-8-12/h2-10H,1H3,(H,19,21)(H,22,23)
InChIKey
KLCJOVZXOTXFMF-UHFFFAOYSA-N
Compound name
4-[(3-methylbenzoyl)amino]-2-phenyl-1,3-thiazole-5-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

338.0725 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 339.07978 177.7
[M+Na]+ 361.06172 185.2
[M-H]- 337.06522 185.8
[M+NH4]+ 356.10632 190.9
[M+K]+ 377.03566 179.8
[M+H-H2O]+ 321.06976 169.5
[M+HCOO]- 383.07070 195.1
[M+CH3COO]- 397.08635 207.8
[M+Na-2H]- 359.04717 176.9
[M]+ 338.07195 179.5
[M]- 338.07305 179.5
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