CID 218004

40028-10-2

Structural Information

Molecular Formula

C₂₀H₂₆N₂

SMILES

CN1CCN(CC1)C(CCC2=CC=CC=C2)C3=CC=CC=C3

InChI

InChI=1S/C20H26N2/c1-21-14-16-22(17-15-21)20(19-10-6-3-7-11-19)13-12-18-8-4-2-5-9-18/h2-11,20H,12-17H2,1H3

InChIKey

KEPIIXSFSQFDIU-UHFFFAOYSA-N

Compound name

1-(1,3-diphenylpropyl)-4-methylpiperazine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 294.2096 Da
Monoisotopic Mass: 3.9
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]+	295.216876	173.8
[M+Na]+	317.198818	176.5
[M-H]-	293.202324	178.7
[M+NH4]+	312.243423	185.2
[M+K]+	333.172758	171.0
[M+H-H2O]+	277.206860	162.5
[M+HCOO]-	339.207801	189.3
[M+CH3COO]-	353.223451	182.3
[M+Na-2H]-	315.184266	176.1
[M]+	294.20905142	168.5
[M]-	294.21014858	168.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe