CID 619353

128143-88-4

Structural Information

Molecular Formula

C₁₅H₁₁N₃O

SMILES

C1=CC=NC(=C1)C2=CC(=O)C=C(N2)C3=CC=CC=N3

InChI

InChI=1S/C15H11N3O/c19-11-9-14(12-5-1-3-7-16-12)18-15(10-11)13-6-2-4-8-17-13/h1-10H,(H,18,19)

InChIKey

HRORSVNZQWCZTD-UHFFFAOYSA-N

Compound name

2,6-dipyridin-2-yl-1H-pyridin-4-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 129
Patents: 249.09021 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]+	250.097486	156.2
[M+Na]+	272.079428	165.4
[M-H]-	248.082934	160.8
[M+NH4]+	267.124033	167.9
[M+K]+	288.053368	158.6
[M+H-H2O]+	232.087470	145.6
[M+HCOO]-	294.088411	176.2
[M+CH3COO]-	308.104061	167.5
[M+Na-2H]-	270.064876	164.4
[M]+	249.08966142	153.9
[M]-	249.09075858	153.9

Literature stripe

literature stripe

Patent stripe

patents stripe