CID 2756712

115761-61-0

Structural Information

Molecular Formula

C₁₆H₁₈N₂

SMILES

C1CN(CCN1)C2=CC=CC(=C2)C3=CC=CC=C3

InChI

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

InChIKey

MHBONQZDOYFHIB-UHFFFAOYSA-N

Compound name

1-(3-phenylphenyl)piperazine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 126
Patents: 238.147 Da
Monoisotopic Mass: 2.7
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	158.1
[M+Na]+	261.13622	173.3
[M+NH4]+	256.18082	167.5
[M+K]+	277.11016	164.1
[M-H]-	237.13972	164.3
[M+Na-2H]-	259.12167	169.0
[M]+	238.14645	162.1
[M]-	238.14755	162.1

Literature stripe

literature stripe

Patent stripe

patents stripe