CID 2771747

2-biphenyl-4-yl-piperazine

Structural Information

Molecular Formula
C16H18N2
SMILES
C1CNC(CN1)C2=CC=C(C=C2)C3=CC=CC=C3
InChI
InChI=1S/C16H18N2/c1-2-4-13(5-3-1)14-6-8-15(9-7-14)16-12-17-10-11-18-16/h1-9,16-18H,10-12H2
InChIKey
QUINYTMXFWCKTN-UHFFFAOYSA-N
Compound name
2-(4-phenylphenyl)piperazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

34
Patents

238.147 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 239.15428 156.2
[M+Na]+ 261.13622 160.3
[M-H]- 237.13972 159.2
[M+NH4]+ 256.18082 168.7
[M+K]+ 277.11016 153.4
[M+H-H2O]+ 221.14426 146.5
[M+HCOO]- 283.14520 171.2
[M+CH3COO]- 297.16085 165.3
[M+Na-2H]- 259.12167 161.2
[M]+ 238.14645 146.7
[M]- 238.14755 146.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe