CID 3076814

132459-05-3

Structural Information

Molecular Formula

C₁₆H₁₄N₂O₂

SMILES

CC1=NC(=CC=C1)N2C(=O)CC(C2=O)C3=CC=CC=C3

InChI

InChI=1S/C16H14N2O2/c1-11-6-5-9-14(17-11)18-15(19)10-13(16(18)20)12-7-3-2-4-8-12/h2-9,13H,10H2,1H3

InChIKey

YOPZDCNJTUKYBD-UHFFFAOYSA-N

Compound name

1-(6-methyl-2-pyridinyl)-3-phenylpyrrolidine-2,5-dione

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 266.10553 Da
Monoisotopic Mass: 2.1
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]+	267.112806	160.2
[M+Na]+	289.094748	169.3
[M-H]-	265.098254	167.9
[M+NH4]+	284.139353	175.7
[M+K]+	305.068688	164.4
[M+H-H2O]+	249.102790	151.0
[M+HCOO]-	311.103731	181.3
[M+CH3COO]-	325.119381	172.5
[M+Na-2H]-	287.080196	161.9
[M]+	266.10498142	159.3
[M]-	266.10607858	159.3

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.