CID 3061521

79333-03-2

Structural Information

Molecular Formula

C₂₈H₃₄N₂O₂

SMILES

CCOC1=CC=CC=C1OC(CCN2CCN(CC2)CC3=CC=CC=C3)C4=CC=CC=C4

InChI

InChI=1S/C28H34N2O2/c1-2-31-27-15-9-10-16-28(27)32-26(25-13-7-4-8-14-25)17-18-29-19-21-30(22-20-29)23-24-11-5-3-6-12-24/h3-16,26H,2,17-23H2,1H3

InChIKey

SJZMMVNKRFNDPW-UHFFFAOYSA-N

Compound name

1-benzyl-4-[3-(2-ethoxyphenoxy)-3-phenylpropyl]piperazine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 430.26202 Da
Monoisotopic Mass: 5.5
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]+	431.269296	209.5
[M+Na]+	453.251238	210.2
[M-H]-	429.254744	216.6
[M+NH4]+	448.295843	214.4
[M+K]+	469.225178	203.7
[M+H-H2O]+	413.259280	195.3
[M+HCOO]-	475.260221	223.4
[M+CH3COO]-	489.275871	215.0
[M+Na-2H]-	451.236686	209.1
[M]+	430.26147142	206.8
[M]-	430.26256858	206.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe