CID 11357987

425392-56-9

Structural Information

Molecular Formula

C₁₆H₁₁NO₂S

SMILES

C1=CC=C(C=C1)C2=C(N=C(S2)C3=CC=CC=C3)C(=O)O

InChI

InChI=1S/C16H11NO2S/c18-16(19)13-14(11-7-3-1-4-8-11)20-15(17-13)12-9-5-2-6-10-12/h1-10H,(H,18,19)

InChIKey

HKKJCAGVFVKYFH-UHFFFAOYSA-N

Compound name

2,5-diphenyl-1,3-thiazole-4-carboxylic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 281.05106 Da
Monoisotopic Mass: 4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	282.05834	162.0
[M+Na]+	304.04028	176.7
[M+NH4]+	299.08488	170.9
[M+K]+	320.01422	169.0
[M-H]-	280.04378	167.5
[M+Na-2H]-	302.02573	171.9
[M]+	281.05051	166.2
[M]-	281.05161	166.2

Literature stripe

literature stripe

Patent stripe

patents stripe