CID 7131193

Diphenyl-1,3-thiazole-5-carboxylic acid

Structural Information

Molecular Formula
C16H11NO2S
SMILES
C1=CC=C(C=C1)C2=C(SC(=N2)C3=CC=CC=C3)C(=O)O
InChI
InChI=1S/C16H11NO2S/c18-16(19)14-13(11-7-3-1-4-8-11)17-15(20-14)12-9-5-2-6-10-12/h1-10H,(H,18,19)
InChIKey
KMOCHRNIGWCEJV-UHFFFAOYSA-N
Compound name
2,4-diphenyl-1,3-thiazole-5-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

26
Patents

281.05106 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 282.05834 162.5
[M+Na]+ 304.04028 171.5
[M-H]- 280.04378 170.6
[M+NH4]+ 299.08488 178.5
[M+K]+ 320.01422 165.9
[M+H-H2O]+ 264.04832 154.9
[M+HCOO]- 326.04926 180.4
[M+CH3COO]- 340.06491 174.6
[M+Na-2H]- 302.02573 163.4
[M]+ 281.05051 163.9
[M]- 281.05161 163.9
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