CID 116119

Piperazine, 1-benzoyl-4-benzyl-

Structural Information

Molecular Formula
C18H20N2O
SMILES
C1CN(CCN1CC2=CC=CC=C2)C(=O)C3=CC=CC=C3
InChI
InChI=1S/C18H20N2O/c21-18(17-9-5-2-6-10-17)20-13-11-19(12-14-20)15-16-7-3-1-4-8-16/h1-10H,11-15H2
InChIKey
VFSAEAGKVBCUNE-UHFFFAOYSA-N
Compound name
(4-benzylpiperazin-1-yl)-phenylmethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

58
Patents

280.15756 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 281.16484 167.5
[M+Na]+ 303.14678 171.4
[M-H]- 279.15028 173.0
[M+NH4]+ 298.19138 179.5
[M+K]+ 319.12072 166.4
[M+H-H2O]+ 263.15482 156.6
[M+HCOO]- 325.15576 184.2
[M+CH3COO]- 339.17141 176.8
[M+Na-2H]- 301.13223 171.0
[M]+ 280.15701 162.2
[M]- 280.15811 162.2
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