CID 206102

42856-57-5

Structural Information

Molecular Formula

C₁₇H₁₅NO₂

SMILES

C1C(C(=O)N(C1=O)CC2=CC=CC=C2)C3=CC=CC=C3

InChI

InChI=1S/C17H15NO2/c19-16-11-15(14-9-5-2-6-10-14)17(20)18(16)12-13-7-3-1-4-8-13/h1-10,15H,11-12H2

InChIKey

WQMXGDJLQATBGU-UHFFFAOYSA-N

Compound name

1-benzyl-3-phenylpyrrolidine-2,5-dione

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 13
Patents: 265.1103 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]+	266.117576	160.2
[M+Na]+	288.099518	168.0
[M-H]-	264.103024	168.8
[M+NH4]+	283.144123	176.8
[M+K]+	304.073458	163.0
[M+H-H2O]+	248.107560	151.6
[M+HCOO]-	310.108501	182.4
[M+CH3COO]-	324.124151	172.5
[M+Na-2H]-	286.084966	162.2
[M]+	265.10975142	158.7
[M]-	265.11084858	158.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe