CID 738483

4-phenyl-2-(4-pyridyl)thiazole

Structural Information

Molecular Formula

C₁₄H₁₀N₂S

SMILES

C1=CC=C(C=C1)C2=CSC(=N2)C3=CC=NC=C3

InChI

InChI=1S/C14H10N2S/c1-2-4-11(5-3-1)13-10-17-14(16-13)12-6-8-15-9-7-12/h1-10H

InChIKey

KDWADCDCAPDAQP-UHFFFAOYSA-N

Compound name

4-phenyl-2-pyridin-4-yl-1,3-thiazole

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 7
References: 6
Patents: 238.05647 Da
Monoisotopic Mass: 3.2
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]+	239.06375	150.4
[M+Na]+	261.04569	166.9
[M+NH4]+	256.09029	160.7
[M+K]+	277.01963	157.6
[M-H]-	237.04919	157.0
[M+Na-2H]-	259.03114	162.4
[M]+	238.05592	155.3
[M]-	238.05702	155.3

Literature stripe

literature stripe

Patent stripe

patents stripe