CID 80185

1,4-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

38
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

literature stripe

Patent stripe

patents stripe