CID 201690

Brn 0622047

Structural Information

Molecular Formula

C₁₈H₂₄N₄

SMILES

CC(C1=CC=CC=N1)N2CCN(CC2)C(C)C3=CC=CC=N3

InChI

InChI=1S/C18H24N4/c1-15(17-7-3-5-9-19-17)21-11-13-22(14-12-21)16(2)18-8-4-6-10-20-18/h3-10,15-16H,11-14H2,1-2H3

InChIKey

BCFIJVCKBMKHIY-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
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	173.8
[M+Na]+	319.189318	177.2
[M-H]-	295.192824	176.3
[M+NH4]+	314.233923	182.2
[M+K]+	335.163258	172.0
[M+H-H2O]+	279.197360	161.3
[M+HCOO]-	341.198301	186.2
[M+CH3COO]-	355.213951	181.5
[M+Na-2H]-	317.174766	176.3
[M]+	296.19955142	168.3
[M]-	296.20064858	168.3

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.