CID 200007

1,4-diphenethylpiperazine dihydrochloride

Structural Information

Molecular Formula

C₂₀H₂₆N₂

SMILES

C1CN(CCN1CCC2=CC=CC=C2)CCC3=CC=CC=C3

InChI

InChI=1S/C20H26N2/c1-3-7-19(8-4-1)11-13-21-15-17-22(18-16-21)14-12-20-9-5-2-6-10-20/h1-10H,11-18H2

InChIKey

NFYAOGOHUGRGIX-UHFFFAOYSA-N

Compound name

1,4-bis(2-phenylethyl)piperazine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 12
Patents: 294.2096 Da
Monoisotopic Mass: 4.0
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	173.7
[M+Na]+	317.198818	176.7
[M-H]-	293.202324	178.5
[M+NH4]+	312.243423	185.2
[M+K]+	333.172758	170.7
[M+H-H2O]+	277.206860	162.2
[M+HCOO]-	339.207801	190.2
[M+CH3COO]-	353.223451	182.3
[M+Na-2H]-	315.184266	177.1
[M]+	294.20905142	168.9
[M]-	294.21014858	168.9

Literature stripe

literature stripe

Patent stripe

patents stripe