CID 3043815

N-diethylaminopropyl-1-(3,4-methylenedioxyphenyl)-2-phenylethylamine

Structural Information

Molecular Formula

C₂₂H₃₀N₂O₂

SMILES

CCN(CC)CCCNC(CC1=CC=CC=C1)C2=CC3=C(C=C2)OCO3

InChI

InChI=1S/C22H30N2O2/c1-3-24(4-2)14-8-13-23-20(15-18-9-6-5-7-10-18)19-11-12-21-22(16-19)26-17-25-21/h5-7,9-12,16,20,23H,3-4,8,13-15,17H2,1-2H3

InChIKey

JLLNQICXHRKWQP-UHFFFAOYSA-N

Compound name

N-[1-(1,3-benzodioxol-5-yl)-2-phenylethyl]-N',N'-diethylpropane-1,3-diamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 354.23074 Da
Monoisotopic Mass: 4.2
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]+	355.238016	191.5
[M+Na]+	377.219958	193.9
[M-H]-	353.223464	200.1
[M+NH4]+	372.264563	203.9
[M+K]+	393.193898	192.6
[M+H-H2O]+	337.228000	182.5
[M+HCOO]-	399.228941	212.2
[M+CH3COO]-	413.244591	223.1
[M+Na-2H]-	375.205406	194.1
[M]+	354.23019142	194.9
[M]-	354.23128858	194.9

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.