CID 309156

25288-46-4

Structural Information

Molecular Formula

C₁₃H₁₂N₂O₂

SMILES

C1=CC=C(C=C1)OCC(=O)NC2=CN=CC=C2

InChI

InChI=1S/C13H12N2O2/c16-13(15-11-5-4-8-14-9-11)10-17-12-6-2-1-3-7-12/h1-9H,10H2,(H,15,16)

InChIKey

YERVZSCNCUXQAH-UHFFFAOYSA-N

Compound name

2-phenoxy-N-pyridin-3-ylacetamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 5
Patents: 228.08987 Da
Monoisotopic Mass: 2.1
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]+	229.09715	150.7
[M+Na]+	251.07909	164.1
[M+NH4]+	246.12369	158.6
[M+K]+	267.05303	157.0
[M-H]-	227.08259	154.8
[M+Na-2H]-	249.06454	160.5
[M]+	228.08932	153.6
[M]-	228.09042	153.6

Literature stripe

literature stripe

Patent stripe

patents stripe