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

164
Patents

238.147 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[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
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

No patent data available for this compound.