CID 464267

2-pyridinone deriv. 18

Structural Information

Molecular Formula

C₁₅H₁₂N₂O₃

SMILES

C1=CC=C2C(=C1)C(=O)N(C2=O)CCC3=CC=CNC3=O

InChI

InChI=1S/C15H12N2O3/c18-13-10(4-3-8-16-13)7-9-17-14(19)11-5-1-2-6-12(11)15(17)20/h1-6,8H,7,9H2,(H,16,18)

InChIKey

GHVIKYNBTUIZJY-UHFFFAOYSA-N

Compound name

2-[2-(2-oxo-1H-pyridin-3-yl)ethyl]isoindole-1,3-dione

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 7
Patents: 268.08478 Da
Monoisotopic Mass: 1.1
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]+	269.09206	158.8
[M+Na]+	291.07400	169.1
[M-H]-	267.07750	163.2
[M+NH4]+	286.11860	174.8
[M+K]+	307.04794	163.3
[M+H-H2O]+	251.08204	150.7
[M+HCOO]-	313.08298	178.9
[M+CH3COO]-	327.09863	194.4
[M+Na-2H]-	289.05945	162.4
[M]+	268.08423	159.3
[M]-	268.08533	159.3

Literature stripe

literature stripe

Patent stripe

patents stripe