CID 69173

13548-82-8

Structural Information

Molecular Formula

C₁₆H₁₈N₂

SMILES

C1CN(CCN1C2=CC=CC=C2)C3=CC=CC=C3

InChI

InChI=1S/C16H18N2/c1-3-7-15(8-4-1)17-11-13-18(14-12-17)16-9-5-2-6-10-16/h1-10H,11-14H2

InChIKey

LLZRSOPHIGKISM-UHFFFAOYSA-N

Compound name

1,4-diphenylpiperazine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 2
References: 775
Patents: 238.147 Da
Monoisotopic Mass: 3.6
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]+	239.15428	156.0
[M+Na]+	261.13622	160.8
[M-H]-	237.13972	161.6
[M+NH4]+	256.18082	169.8
[M+K]+	277.11016	155.8
[M+H-H2O]+	221.14426	145.4
[M+HCOO]-	283.14520	173.9
[M+CH3COO]-	297.16085	166.4
[M+Na-2H]-	259.12167	161.6
[M]+	238.14645	149.9
[M]-	238.14755	149.9

Literature stripe

literature stripe

Patent stripe

patents stripe