CID 68123

Nicotelline

Structural Information

Molecular Formula

C₁₅H₁₁N₃

SMILES

C1=CC(=CN=C1)C2=CC(=NC=C2)C3=CN=CC=C3

InChI

InChI=1S/C15H11N3/c1-3-13(10-16-6-1)12-5-8-18-15(9-12)14-4-2-7-17-11-14/h1-11H

InChIKey

OILSPHJMIPYURT-UHFFFAOYSA-N

Compound name

2,4-dipyridin-3-ylpyridine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 86
Patents: 233.09529 Da
Monoisotopic Mass: 2.0
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]+	234.102566	152.5
[M+Na]+	256.084508	161.0
[M-H]-	232.088014	158.0
[M+NH4]+	251.129113	165.4
[M+K]+	272.058448	155.1
[M+H-H2O]+	216.092550	141.5
[M+HCOO]-	278.093491	173.6
[M+CH3COO]-	292.109141	164.2
[M+Na-2H]-	254.069956	162.0
[M]+	233.09474142	150.9
[M]-	233.09583858	150.9

Literature stripe

literature stripe

Patent stripe

patents stripe