CID 16075543

4-[benzoyl(methyl)amino]-2-phenyl-thiazole-5-carboxylic acid

Structural Information

Molecular Formula
C18H14N2O3S
SMILES
CN(C1=C(SC(=N1)C2=CC=CC=C2)C(=O)O)C(=O)C3=CC=CC=C3
InChI
InChI=1S/C18H14N2O3S/c1-20(17(21)13-10-6-3-7-11-13)15-14(18(22)23)24-16(19-15)12-8-4-2-5-9-12/h2-11H,1H3,(H,22,23)
InChIKey
QIXJPYJDAHSKMN-UHFFFAOYSA-N
Compound name
4-[benzoyl(methyl)amino]-2-phenyl-1,3-thiazole-5-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

338.0725 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 339.07978 177.9
[M+Na]+ 361.06172 184.7
[M-H]- 337.06522 187.1
[M+NH4]+ 356.10632 191.5
[M+K]+ 377.03566 180.7
[M+H-H2O]+ 321.06976 169.4
[M+HCOO]- 383.07070 195.9
[M+CH3COO]- 397.08635 209.8
[M+Na-2H]- 359.04717 177.2
[M]+ 338.07195 180.6
[M]- 338.07305 180.6
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

No patent data available for this compound.