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

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	295.14412	169.9
[M+Na]+	317.12606	183.7
[M+NH4]+	312.17066	177.4
[M+K]+	333.10000	176.3
[M-H]-	293.12956	174.7
[M+Na-2H]-	315.11151	179.2
[M]+	294.13629	173.1
[M]-	294.13739	173.1

Literature stripe

literature stripe

Patent stripe

patents stripe