CID 88951

21579-78-2

Structural Information

Molecular Formula

C₁₉H₂₄N₂O

SMILES

CN1CCN(CC1)CC(C2=CC=CC=C2)(C3=CC=CC=C3)O

InChI

InChI=1S/C19H24N2O/c1-20-12-14-21(15-13-20)16-19(22,17-8-4-2-5-9-17)18-10-6-3-7-11-18/h2-11,22H,12-16H2,1H3

InChIKey

BNYKNAMROLCQRS-UHFFFAOYSA-N

Compound name

2-(4-methylpiperazin-1-yl)-1,1-diphenylethanol

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 1
Patents: 296.18887 Da
Monoisotopic Mass: 2.4
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]+	297.196146	173.2
[M+Na]+	319.178088	176.6
[M-H]-	295.181594	177.3
[M+NH4]+	314.222693	184.0
[M+K]+	335.152028	171.1
[M+H-H2O]+	279.186130	162.8
[M+HCOO]-	341.187071	187.2
[M+CH3COO]-	355.202721	181.6
[M+Na-2H]-	317.163536	177.6
[M]+	296.18832142	167.3
[M]-	296.18941858	167.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe