CID 4742573

10527-64-7

Structural Information

Molecular Formula

C₁₉H₂₄N₂O

SMILES

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

InChI

InChI=1S/C19H24N2O/c22-16-15-20-11-13-21(14-12-20)19(17-7-3-1-4-8-17)18-9-5-2-6-10-18/h1-10,19,22H,11-16H2

InChIKey

QEYZAHKHYSGDJK-UHFFFAOYSA-N

Compound name

2-(4-benzhydrylpiperazin-1-yl)ethanol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 57
Patents: 296.18887 Da
Monoisotopic Mass: 3.2
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]+	297.19615	172.6
[M+Na]+	319.17809	175.3
[M-H]-	295.18159	176.4
[M+NH4]+	314.22269	183.2
[M+K]+	335.15203	169.7
[M+H-H2O]+	279.18613	161.8
[M+HCOO]-	341.18707	187.2
[M+CH3COO]-	355.20272	180.7
[M+Na-2H]-	317.16354	175.1
[M]+	296.18832	166.6
[M]-	296.18942	166.6

Literature stripe

literature stripe

Patent stripe

patents stripe