CID 2728494

10198-89-7

Structural Information

Molecular Formula

C₁₃H₁₀N₂O₂

SMILES

C1=CC=NC(=C1)C(=O)CC(=O)C2=CC=CC=N2

InChI

InChI=1S/C13H10N2O2/c16-12(10-5-1-3-7-14-10)9-13(17)11-6-2-4-8-15-11/h1-8H,9H2

InChIKey

DCGUVLMWGIPVDP-UHFFFAOYSA-N

Compound name

1,3-dipyridin-2-ylpropane-1,3-dione

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 5
References: 436
Patents: 226.07423 Da
Monoisotopic Mass: 1.6
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]+	227.08151	149.1
[M+Na]+	249.06345	163.3
[M+NH4]+	244.10805	156.3
[M+K]+	265.03739	156.8
[M-H]-	225.06695	151.7
[M+Na-2H]-	247.04890	158.5
[M]+	226.07368	151.8
[M]-	226.07478	151.8

Literature stripe

literature stripe

Patent stripe

patents stripe