CID 156519

5-phenyl-2-(4-pyridyl)oxazole

Structural Information

Molecular Formula

C₁₄H₁₀N₂O

SMILES

C1=CC=C(C=C1)C2=CN=C(O2)C3=CC=NC=C3

InChI

InChI=1S/C14H10N2O/c1-2-4-11(5-3-1)13-10-16-14(17-13)12-6-8-15-9-7-12/h1-10H

InChIKey

HGEXVTDKVHLPRZ-UHFFFAOYSA-N

Compound name

5-phenyl-2-pyridin-4-yl-1,3-oxazole

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 73
Patents: 222.07932 Da
Monoisotopic Mass: 3.6
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]+	223.08660	147.8
[M+Na]+	245.06854	164.7
[M+NH4]+	240.11314	157.1
[M+K]+	261.04248	158.3
[M-H]-	221.07204	155.0
[M+Na-2H]-	243.05399	159.7
[M]+	222.07877	152.5
[M]-	222.07987	152.5

Literature stripe

literature stripe

Patent stripe

patents stripe