CID 2762749

148332-36-9

Structural Information

Molecular Formula

C₁₆H₁₁N₃O₂

SMILES

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

InChI

InChI=1S/C16H11N3O2/c20-16(21)11-9-14(12-5-1-3-7-17-12)19-15(10-11)13-6-2-4-8-18-13/h1-10H,(H,20,21)

InChIKey

ZYTWXMBGOUJDHJ-UHFFFAOYSA-N

Compound name

2,6-dipyridin-2-ylpyridine-4-carboxylic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 4
References: 32
Patents: 277.0851 Da
Monoisotopic Mass: 1.9
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]+	278.09238	163.2
[M+Na]+	300.07432	179.9
[M+NH4]+	295.11892	170.2
[M+K]+	316.04826	172.5
[M-H]-	276.07782	167.7
[M+Na-2H]-	298.05977	174.7
[M]+	277.08455	166.9
[M]-	277.08565	166.9

Literature stripe

literature stripe

Patent stripe

patents stripe