CID 25176

4-pentenylamine, 2-(1-naphthyl)-n-(2-piperidinoethyl)-, bioxalate

Structural Information

Molecular Formula

C₂₂H₃₀N₂

SMILES

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

InChI

InChI=1S/C22H30N2/c1-2-9-20(18-23-14-17-24-15-6-3-7-16-24)22-13-8-11-19-10-4-5-12-21(19)22/h2,4-5,8,10-13,20,23H,1,3,6-7,9,14-18H2

InChIKey

SFSQPLAMCRBHPX-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 322.2409 Da
Monoisotopic Mass: 4.8
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]+	323.248176	181.1
[M+Na]+	345.230118	182.4
[M-H]-	321.233624	184.6
[M+NH4]+	340.274723	193.7
[M+K]+	361.204058	176.1
[M+H-H2O]+	305.238160	170.9
[M+HCOO]-	367.239101	197.0
[M+CH3COO]-	381.254751	213.2
[M+Na-2H]-	343.215566	183.5
[M]+	322.24035142	176.0
[M]-	322.24144858	176.0

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.