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

197
Patents

238.147 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[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
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe