CID 91319

Piperazine, 1-(2-(alpha-(p-chlorophenyl)benzyloxy)ethyl)-4-phenethyl-, dimaleate

Structural Information

Molecular Formula

C₂₇H₃₁ClN₂O

SMILES

C1CN(CCN1CCC2=CC=CC=C2)CCOC(C3=CC=CC=C3)C4=CC=C(C=C4)Cl

InChI

InChI=1S/C27H31ClN2O/c28-26-13-11-25(12-14-26)27(24-9-5-2-6-10-24)31-22-21-30-19-17-29(18-20-30)16-15-23-7-3-1-4-8-23/h1-14,27H,15-22H2

InChIKey

JUQACYPIVJLDAE-UHFFFAOYSA-N

Compound name

1-[2-[(4-chlorophenyl)-phenylmethoxy]ethyl]-4-(2-phenylethyl)piperazine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 434.2125 Da
Monoisotopic Mass: 5.7
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]+	435.219776	208.4
[M+Na]+	457.201718	210.6
[M-H]-	433.205224	215.3
[M+NH4]+	452.246323	214.2
[M+K]+	473.175658	202.1
[M+H-H2O]+	417.209760	194.7
[M+HCOO]-	479.210701	217.9
[M+CH3COO]-	493.226351	214.1
[M+Na-2H]-	455.187166	207.9
[M]+	434.21195142	206.5
[M]-	434.21304858	206.5

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.