CID 3065201

Piperazinone, 4-benzoyl-1-(phenylmethyl)-

Structural Information

Molecular Formula
C18H18N2O2
SMILES
C1CN(C(=O)CN1C(=O)C2=CC=CC=C2)CC3=CC=CC=C3
InChI
InChI=1S/C18H18N2O2/c21-17-14-20(18(22)16-9-5-2-6-10-16)12-11-19(17)13-15-7-3-1-4-8-15/h1-10H,11-14H2
InChIKey
VAXZOXZEMYNUOK-UHFFFAOYSA-N
Compound name
4-benzoyl-1-benzylpiperazin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

294.13684 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 295.14412 169.9
[M+Na]+ 317.12606 174.9
[M-H]- 293.12956 175.8
[M+NH4]+ 312.17066 181.4
[M+K]+ 333.10000 169.9
[M+H-H2O]+ 277.13410 159.0
[M+HCOO]- 339.13504 186.9
[M+CH3COO]- 353.15069 179.4
[M+Na-2H]- 315.11151 172.6
[M]+ 294.13629 165.7
[M]- 294.13739 165.7
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

No patent data available for this compound.