CID 224749

101975-96-6

Structural Information

Molecular Formula

C₂₀H₂₆N₂

SMILES

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

InChI

InChI=1S/C20H26N2/c1-17(19-9-5-3-6-10-19)21-13-15-22(16-14-21)18(2)20-11-7-4-8-12-20/h3-12,17-18H,13-16H2,1-2H3

InChIKey

FQNIOAVLCZLWON-UHFFFAOYSA-N

Compound name

1,4-bis(1-phenylethyl)piperazine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 2
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]+	295.21688	174.6
[M+Na]+	317.19882	188.8
[M+NH4]+	312.24342	183.4
[M+K]+	333.17276	180.0
[M-H]-	293.20232	180.7
[M+Na-2H]-	315.18427	184.4
[M]+	294.20905	178.5
[M]-	294.21015	178.5

Literature stripe

literature stripe

Patent stripe

patents stripe