CID 2737389

769944-87-8

Structural Information

Molecular Formula

C₁₆H₁₈N₂

SMILES

C1CN(CCN1)C2=CC=CC=C2C3=CC=CC=C3

InChI

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

InChIKey

RKRVRTJVCWZOQS-UHFFFAOYSA-N

Compound name

1-(2-phenylphenyl)piperazine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 6
References: 160
Patents: 238.147 Da
Monoisotopic Mass: 3.5
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	156.1
[M+Na]+	261.13622	160.6
[M-H]-	237.13972	160.4
[M+NH4]+	256.18082	169.3
[M+K]+	277.11016	154.6
[M+H-H2O]+	221.14426	146.0
[M+HCOO]-	283.14520	172.6
[M+CH3COO]-	297.16085	165.9
[M+Na-2H]-	259.12167	161.4
[M]+	238.14645	148.3
[M]-	238.14755	148.3

Literature stripe

literature stripe

Patent stripe

patents stripe