CID 501374

Chembl133589

Structural Information

Molecular Formula

C₂₀H₂₆N₂O₂

SMILES

C1CN(CCN1CCO)CCOC2=CC=C(C=C2)C3=CC=CC=C3

InChI

InChI=1S/C20H26N2O2/c23-16-14-21-10-12-22(13-11-21)15-17-24-20-8-6-19(7-9-20)18-4-2-1-3-5-18/h1-9,23H,10-17H2

InChIKey

VEMUHLYZJZSLSI-UHFFFAOYSA-N

Compound name

2-[4-[2-(4-phenylphenoxy)ethyl]piperazin-1-yl]ethanol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 0
Patents: 326.19943 Da
Monoisotopic Mass: 2.7
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]+	327.206706	180.5
[M+Na]+	349.188648	183.7
[M-H]-	325.192154	184.4
[M+NH4]+	344.233253	190.1
[M+K]+	365.162588	178.2
[M+H-H2O]+	309.196690	169.1
[M+HCOO]-	371.197631	195.9
[M+CH3COO]-	385.213281	206.0
[M+Na-2H]-	347.174096	182.8
[M]+	326.19888142	177.1
[M]-	326.19997858	177.1

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.