CID 16804

Benzoxazole, 2-(4-pyridyl)-

Structural Information

Molecular Formula

C₁₂H₈N₂O

SMILES

C1=CC=C2C(=C1)N=C(O2)C3=CC=NC=C3

InChI

InChI=1S/C12H8N2O/c1-2-4-11-10(3-1)14-12(15-11)9-5-7-13-8-6-9/h1-8H

InChIKey

NSTYHODPDRPTRO-UHFFFAOYSA-N

Compound name

2-pyridin-4-yl-1,3-benzoxazole

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 62
Patents: 196.06366 Da
Monoisotopic Mass: 2.4
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]+	197.07094	138.5
[M+Na]+	219.05288	155.7
[M+NH4]+	214.09748	148.2
[M+K]+	235.02682	149.5
[M-H]-	195.05638	144.3
[M+Na-2H]-	217.03833	149.1
[M]+	196.06311	142.8
[M]-	196.06421	142.8

Literature stripe

literature stripe

Patent stripe

patents stripe