CID 202898

Brn 0766466

Structural Information

Molecular Formula

C₂₄H₂₂N₂O₂

SMILES

CC1=C(C=C(C=C1)C2=CC=CC=C2)N3C(=O)CN(CC3=O)CC4=CC=CC=C4

InChI

InChI=1S/C24H22N2O2/c1-18-12-13-21(20-10-6-3-7-11-20)14-22(18)26-23(27)16-25(17-24(26)28)15-19-8-4-2-5-9-19/h2-14H,15-17H2,1H3

InChIKey

PGRRFEYBIUJZBQ-UHFFFAOYSA-N

Compound name

4-benzyl-1-(2-methyl-5-phenylphenyl)piperazine-2,6-dione

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 370.16812 Da
Monoisotopic Mass: 4.4
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]+	371.175396	192.7
[M+Na]+	393.157338	199.2
[M-H]-	369.160844	201.9
[M+NH4]+	388.201943	201.1
[M+K]+	409.131278	191.9
[M+H-H2O]+	353.165380	179.9
[M+HCOO]-	415.166321	209.5
[M+CH3COO]-	429.181971	201.4
[M+Na-2H]-	391.142786	193.2
[M]+	370.16757142	189.4
[M]-	370.16866858	189.4

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.