CID 3064205

Piperidine, 1-(2-(benzyl(p-methoxybenzyl)amino)ethyl)-, dihydrochloride

Structural Information

Molecular Formula

C₂₂H₃₀N₂O

SMILES

COC1=CC=C(C=C1)CN(CCN2CCCCC2)CC3=CC=CC=C3

InChI

InChI=1S/C22H30N2O/c1-25-22-12-10-21(11-13-22)19-24(18-20-8-4-2-5-9-20)17-16-23-14-6-3-7-15-23/h2,4-5,8-13H,3,6-7,14-19H2,1H3

InChIKey

BCGLRCLZBGFICX-UHFFFAOYSA-N

Compound name

N-benzyl-N-[(4-methoxyphenyl)methyl]-2-piperidin-1-ylethanamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 338.2358 Da
Monoisotopic Mass: 4.1
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]+	339.243076	184.7
[M+Na]+	361.225018	185.9
[M-H]-	337.228524	191.9
[M+NH4]+	356.269623	195.9
[M+K]+	377.198958	181.7
[M+H-H2O]+	321.233060	173.1
[M+HCOO]-	383.234001	203.6
[M+CH3COO]-	397.249651	216.8
[M+Na-2H]-	359.210466	186.8
[M]+	338.23525142	182.1
[M]-	338.23634858	182.1

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.