CID 16829

2308-61-4

Structural Information

Molecular Formula

C₁₈H₁₈N₂O₂

SMILES

C1=CC=C(C=C1)CC2C(=O)NC(C(=O)N2)CC3=CC=CC=C3

InChI

InChI=1S/C18H18N2O2/c21-17-15(11-13-7-3-1-4-8-13)19-18(22)16(20-17)12-14-9-5-2-6-10-14/h1-10,15-16H,11-12H2,(H,19,22)(H,20,21)

InChIKey

JUAPMRSLDANLAS-UHFFFAOYSA-N

Compound name

3,6-dibenzylpiperazine-2,5-dione

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 255
Patents: 294.13684 Da
Monoisotopic Mass: 2.7
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	171.8
[M+Na]+	317.12606	185.9
[M+NH4]+	312.17066	178.7
[M+K]+	333.10000	177.8
[M-H]-	293.12956	176.0
[M+Na-2H]-	315.11151	180.0
[M]+	294.13629	174.9
[M]-	294.13739	174.9

Literature stripe

literature stripe

Patent stripe

patents stripe