CID 39790

Alpha-(2-dimethylaminoethyl)-alpha-prenyl-1-naphthylpropionitrile hydrochloride

Structural Information

Molecular Formula

C₂₂H₂₈N₂

SMILES

CC(=CCC(CCN(C)C)(CC1=CC=CC2=CC=CC=C21)C#N)C

InChI

InChI=1S/C22H28N2/c1-18(2)12-13-22(17-23,14-15-24(3)4)16-20-10-7-9-19-8-5-6-11-21(19)20/h5-12H,13-16H2,1-4H3

InChIKey

AEPSRGKFFFKPGJ-UHFFFAOYSA-N

Compound name

2-[2-(dimethylamino)ethyl]-5-methyl-2-(naphthalen-1-ylmethyl)hex-4-enenitrile

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 320.22525 Da
Monoisotopic Mass: 5.3
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]+	321.232526	188.2
[M+Na]+	343.214468	194.8
[M-H]-	319.217974	191.7
[M+NH4]+	338.259073	202.1
[M+K]+	359.188408	188.3
[M+H-H2O]+	303.222510	174.1
[M+HCOO]-	365.223451	203.8
[M+CH3COO]-	379.239101	226.5
[M+Na-2H]-	341.199916	189.9
[M]+	320.22470142	184.7
[M]-	320.22579858	184.7

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.