CID 816671

2-phenoxy-n-(2-pyridinyl)acetamide

Structural Information

Molecular Formula

C₁₃H₁₂N₂O₂

SMILES

C1=CC=C(C=C1)OCC(=O)NC2=CC=CC=N2

InChI

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

InChIKey

DADANRVMAVMSFI-UHFFFAOYSA-N

Compound name

2-phenoxy-N-pyridin-2-ylacetamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 4
Patents: 228.08987 Da
Monoisotopic Mass: 2.3
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]+	229.097146	149.2
[M+Na]+	251.079088	155.3
[M-H]-	227.082594	154.3
[M+NH4]+	246.123693	164.9
[M+K]+	267.053028	152.3
[M+H-H2O]+	211.087130	140.5
[M+HCOO]-	273.088071	173.3
[M+CH3COO]-	287.103721	190.0
[M+Na-2H]-	249.064536	157.2
[M]+	228.08932142	149.1
[M]-	228.09041858	149.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe