CID 80185

N,n'-dibenzoylpiperazine

Structural Information

Molecular Formula
C18H18N2O2
SMILES
C1CN(CCN1C(=O)C2=CC=CC=C2)C(=O)C3=CC=CC=C3
InChI
InChI=1S/C18H18N2O2/c21-17(15-7-3-1-4-8-15)19-11-13-20(14-12-19)18(22)16-9-5-2-6-10-16/h1-10H,11-14H2
InChIKey
AIJTZIFDVSTZPB-UHFFFAOYSA-N
Compound name
(4-benzoylpiperazin-1-yl)-phenylmethanone
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

11
References

30
Patents

294.13684 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 295.14412 169.6
[M+Na]+ 317.12606 173.5
[M-H]- 293.12956 175.3
[M+NH4]+ 312.17066 180.8
[M+K]+ 333.10000 169.1
[M+H-H2O]+ 277.13410 158.8
[M+HCOO]- 339.13504 185.6
[M+CH3COO]- 353.15069 178.8
[M+Na-2H]- 315.11151 172.0
[M]+ 294.13629 164.4
[M]- 294.13739 164.4
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.