CID 45398

2-(phenyl-(p-tolyl)methoxy)-n-piperidinoethylamine hydrochloride

Structural Information

Molecular Formula

C₂₁H₂₈N₂O

SMILES

CC1=CC=C(C=C1)C(C2=CC=CC=C2)OCCNN3CCCCC3

InChI

InChI=1S/C21H28N2O/c1-18-10-12-20(13-11-18)21(19-8-4-2-5-9-19)24-17-14-22-23-15-6-3-7-16-23/h2,4-5,8-13,21-22H,3,6-7,14-17H2,1H3

InChIKey

VEHXDGOPDFHDAU-UHFFFAOYSA-N

Compound name

N-[2-[(4-methylphenyl)-phenylmethoxy]ethyl]piperidin-1-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 324.22015 Da
Monoisotopic Mass: 4.3
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]+	325.227426	179.9
[M+Na]+	347.209368	181.2
[M-H]-	323.212874	186.1
[M+NH4]+	342.253973	191.1
[M+K]+	363.183308	176.3
[M+H-H2O]+	307.217410	169.0
[M+HCOO]-	369.218351	197.7
[M+CH3COO]-	383.234001	211.3
[M+Na-2H]-	345.194816	182.3
[M]+	324.21960142	175.2
[M]-	324.22069858	175.2

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.