CID 853197

2-phenoxy-n-(pyridin-2-ylmethyl)acetamide

Structural Information

Molecular Formula

C₁₄H₁₄N₂O₂

SMILES

C1=CC=C(C=C1)OCC(=O)NCC2=CC=CC=N2

InChI

InChI=1S/C14H14N2O2/c17-14(11-18-13-7-2-1-3-8-13)16-10-12-6-4-5-9-15-12/h1-9H,10-11H2,(H,16,17)

InChIKey

HNJIUYDXPFZRRY-UHFFFAOYSA-N

Compound name

2-phenoxy-N-(pyridin-2-ylmethyl)acetamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 3
References: 0
Patents: 242.10553 Da
Monoisotopic Mass: 1.7
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]+	243.112806	153.8
[M+Na]+	265.094748	159.4
[M-H]-	241.098254	158.6
[M+NH4]+	260.139353	168.9
[M+K]+	281.068688	156.2
[M+H-H2O]+	225.102790	144.8
[M+HCOO]-	287.103731	177.5
[M+CH3COO]-	301.119381	192.9
[M+Na-2H]-	263.080196	161.2
[M]+	242.10498142	154.0
[M]-	242.10607858	154.0

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.