CID 3058689

75483-53-3

Structural Information

Molecular Formula

C₁₅H₁₂N₂O₂

SMILES

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

InChI

InChI=1S/C15H12N2O2/c18-14-10-13(11-4-2-1-3-5-11)15(19)17(14)12-6-8-16-9-7-12/h1-9,13H,10H2

InChIKey

GXGPLYGBCVQACZ-UHFFFAOYSA-N

Compound name

3-phenyl-1-pyridin-4-ylpyrrolidine-2,5-dione

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 2
Patents: 252.08987 Da
Monoisotopic Mass: 1.3
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]+	253.09715	157.4
[M+Na]+	275.07909	172.1
[M+NH4]+	270.12369	165.3
[M+K]+	291.05303	166.3
[M-H]-	251.08259	162.0
[M+Na-2H]-	273.06454	166.6
[M]+	252.08932	160.7
[M]-	252.09042	160.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe