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

45
Patents

238.147 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 239.154276 156.2
[M+Na]+ 261.136218 160.3
[M-H]- 237.139724 159.2
[M+NH4]+ 256.180823 168.7
[M+K]+ 277.110158 153.4
[M+H-H2O]+ 221.144260 146.5
[M+HCOO]- 283.145201 171.2
[M+CH3COO]- 297.160851 165.3
[M+Na-2H]- 259.121666 161.2
[M]+ 238.14645142 146.7
[M]- 238.14754858 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