CID 206408

Brn 0541006

Structural Information

Molecular Formula

C₁₅H₂₂N₂O₃

SMILES

C1CN(CCOC1)CCNC(=O)COC2=CC=CC=C2

InChI

InChI=1S/C15H22N2O3/c18-15(13-20-14-5-2-1-3-6-14)16-7-9-17-8-4-11-19-12-10-17/h1-3,5-6H,4,7-13H2,(H,16,18)

InChIKey

YTZNEHGBLNQONS-UHFFFAOYSA-N

Compound name

N-[2-(1,4-oxazepan-4-yl)ethyl]-2-phenoxyacetamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 278.16306 Da
Monoisotopic Mass: 1.3
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]+	279.170336	162.6
[M+Na]+	301.152278	163.4
[M-H]-	277.155784	167.9
[M+NH4]+	296.196883	173.8
[M+K]+	317.126218	166.9
[M+H-H2O]+	261.160320	153.8
[M+HCOO]-	323.161261	180.4
[M+CH3COO]-	337.176911	199.8
[M+Na-2H]-	299.137726	166.8
[M]+	278.16251142	158.0
[M]-	278.16360858	158.0

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.