CID 73012807

1225963-57-4

Structural Information

Molecular Formula

C₁₅H₁₀N₂O₂S

SMILES

C1=CC=C(C=C1)C2=C(SC(=N2)C3=CC=NC=C3)C(=O)O

InChI

InChI=1S/C15H10N2O2S/c18-15(19)13-12(10-4-2-1-3-5-10)17-14(20-13)11-6-8-16-9-7-11/h1-9H,(H,18,19)

InChIKey

XIUFXYLUJWNFRF-UHFFFAOYSA-N

Compound name

4-phenyl-2-pyridin-4-yl-1,3-thiazole-5-carboxylic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 1
Patents: 282.0463 Da
Monoisotopic Mass: 3.1
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]+	283.05358	161.5
[M+Na]+	305.03552	176.2
[M+NH4]+	300.08012	169.7
[M+K]+	321.00946	169.0
[M-H]-	281.03902	166.2
[M+Na-2H]-	303.02097	171.2
[M]+	282.04575	165.4
[M]-	282.04685	165.4

Literature stripe

literature stripe

Patent stripe

patents stripe