CID 511484

1-benzyl-4-phenylpiperazine

Structural Information

Molecular Formula
C17H20N2
SMILES
C1CN(CCN1CC2=CC=CC=C2)C3=CC=CC=C3
InChI
InChI=1S/C17H20N2/c1-3-7-16(8-4-1)15-18-11-13-19(14-12-18)17-9-5-2-6-10-17/h1-10H,11-15H2
InChIKey
VEJWDLHOLWGRLH-UHFFFAOYSA-N
Compound name
1-benzyl-4-phenylpiperazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

7
References

99
Patents

252.16264 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 253.16992 160.4
[M+Na]+ 275.15186 164.8
[M-H]- 251.15536 165.9
[M+NH4]+ 270.19646 173.7
[M+K]+ 291.12580 159.5
[M+H-H2O]+ 235.15990 149.6
[M+HCOO]- 297.16084 178.0
[M+CH3COO]- 311.17649 170.4
[M+Na-2H]- 273.13731 165.5
[M]+ 252.16209 154.7
[M]- 252.16319 154.7
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