CID 2735513

1-biphenyl-4-yl-piperazine

Structural Information

Molecular Formula

C₁₆H₁₈N₂

SMILES

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

InChI

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

InChIKey

OAKBDDKEEOAXNV-UHFFFAOYSA-N

Compound name

1-(4-phenylphenyl)piperazine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 201
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]+	239.154276	156.1
[M+Na]+	261.136218	160.6
[M-H]-	237.139724	160.4
[M+NH4]+	256.180823	169.3
[M+K]+	277.110158	154.6
[M+H-H2O]+	221.144260	146.0
[M+HCOO]-	283.145201	172.6
[M+CH3COO]-	297.160851	165.9
[M+Na-2H]-	259.121666	161.4
[M]+	238.14645142	148.3
[M]-	238.14754858	148.3

Literature stripe

literature stripe

Patent stripe

patents stripe