CID 6433546

1-naphthaleneethylamine, beta-(2-butenyl)-n-(2-piperidinoethyl)-, bioxalate

Structural Information

Molecular Formula

C₂₃H₃₂N₂

SMILES

C/C=C/CC(CNCCN1CCCCC1)C2=CC=CC3=CC=CC=C32

InChI

InChI=1S/C23H32N2/c1-2-3-10-21(19-24-15-18-25-16-7-4-8-17-25)23-14-9-12-20-11-5-6-13-22(20)23/h2-3,5-6,9,11-14,21,24H,4,7-8,10,15-19H2,1H3/b3-2+

InChIKey

ZAVZXDBMEORKDK-NSCUHMNNSA-N

Compound name

(E)-2-naphthalen-1-yl-N-(2-piperidin-1-ylethyl)hex-4-en-1-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 336.25656 Da
Monoisotopic Mass: 5.0
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]+	337.263836	185.9
[M+Na]+	359.245778	186.8
[M-H]-	335.249284	189.2
[M+NH4]+	354.290383	197.9
[M+K]+	375.219718	180.2
[M+H-H2O]+	319.253820	175.4
[M+HCOO]-	381.254761	201.4
[M+CH3COO]-	395.270411	215.6
[M+Na-2H]-	357.231226	187.7
[M]+	336.25601142	181.0
[M]-	336.25710858	181.0

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.