CID 3053509

Phenethylamine, 3,4-methylenedioxy-n-phenethyl-n-propyl-, hydrochloride

Structural Information

Molecular Formula

C₂₀H₂₅NO₂

SMILES

CCCN(CCC1=CC=CC=C1)CCC2=CC3=C(C=C2)OCO3

InChI

InChI=1S/C20H25NO2/c1-2-12-21(13-10-17-6-4-3-5-7-17)14-11-18-8-9-19-20(15-18)23-16-22-19/h3-9,15H,2,10-14,16H2,1H3

InChIKey

RBHYNHQHSBZTAV-UHFFFAOYSA-N

Compound name

N-[2-(1,3-benzodioxol-5-yl)ethyl]-N-(2-phenylethyl)propan-1-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 311.18854 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]+	312.195816	177.6
[M+Na]+	334.177758	182.2
[M-H]-	310.181264	186.6
[M+NH4]+	329.222363	192.3
[M+K]+	350.151698	180.8
[M+H-H2O]+	294.185800	169.4
[M+HCOO]-	356.186741	199.1
[M+CH3COO]-	370.202391	211.3
[M+Na-2H]-	332.163206	181.9
[M]+	311.18799142	181.7
[M]-	311.18908858	181.7

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.