CID 201239

5685-21-2

Structural Information

Molecular Formula

C₁₇H₁₅NO₂

SMILES

CC1(CC(=O)N(C1=O)C2=CC=CC=C2)C3=CC=CC=C3

InChI

InChI=1S/C17H15NO2/c1-17(13-8-4-2-5-9-13)12-15(19)18(16(17)20)14-10-6-3-7-11-14/h2-11H,12H2,1H3

InChIKey

JUUONCTYDKSYRU-UHFFFAOYSA-N

Compound name

3-methyl-1,3-diphenylpyrrolidine-2,5-dione

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 265.1103 Da
Monoisotopic Mass: 2.8
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]+	266.11758	159.8
[M+Na]+	288.09952	168.7
[M-H]-	264.10302	168.8
[M+NH4]+	283.14412	178.5
[M+K]+	304.07346	163.9
[M+H-H2O]+	248.10756	151.6
[M+HCOO]-	310.10850	182.1
[M+CH3COO]-	324.12415	172.6
[M+Na-2H]-	286.08497	162.9
[M]+	265.10975	158.7
[M]-	265.11085	158.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe