CID 202814

(+)-alpha-methyl-n-(p-methylbenzyl)phenethylamine hydrochloride

Structural Information

Molecular Formula

C₁₇H₂₁N

SMILES

CC1=CC=C(C=C1)CNC(C)CC2=CC=CC=C2

InChI

InChI=1S/C17H21N/c1-14-8-10-17(11-9-14)13-18-15(2)12-16-6-4-3-5-7-16/h3-11,15,18H,12-13H2,1-2H3

InChIKey

NVACDMAZYBOQOE-UHFFFAOYSA-N

Compound name

N-[(4-methylphenyl)methyl]-1-phenylpropan-2-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 10
Patents: 239.1674 Da
Monoisotopic Mass: 4.0
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]+	240.174676	157.6
[M+Na]+	262.156618	162.7
[M-H]-	238.160124	163.7
[M+NH4]+	257.201223	174.7
[M+K]+	278.130558	158.5
[M+H-H2O]+	222.164660	149.7
[M+HCOO]-	284.165601	181.0
[M+CH3COO]-	298.181251	197.9
[M+Na-2H]-	260.142066	162.5
[M]+	239.16685142	156.8
[M]-	239.16794858	156.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe