CID 203515

Piperazine, 1,4-bis(2-(4-pyridyl)ethyl)-

Structural Information

Molecular Formula

C₁₈H₂₄N₄

SMILES

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

InChI

InChI=1S/C18H24N4/c1-7-19-8-2-17(1)5-11-21-13-15-22(16-14-21)12-6-18-3-9-20-10-4-18/h1-4,7-10H,5-6,11-16H2

InChIKey

BHPREEJKJGFUPY-UHFFFAOYSA-N

Compound name

1,4-bis(2-pyridin-4-ylethyl)piperazine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 5
Patents: 296.2001 Da
Monoisotopic Mass: 1.8
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]+	297.207376	174.3
[M+Na]+	319.189318	178.2
[M-H]-	295.192824	176.4
[M+NH4]+	314.233923	182.8
[M+K]+	335.163258	171.9
[M+H-H2O]+	279.197360	161.2
[M+HCOO]-	341.198301	188.5
[M+CH3COO]-	355.213951	182.0
[M+Na-2H]-	317.174766	178.8
[M]+	296.19955142	169.8
[M]-	296.20064858	169.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe