CID 6474703

Schembl22511009

Structural Information

Molecular Formula

C₁₃H₁₀N₂O

SMILES

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

InChI

InChI=1S/C13H10N2O/c16-13(12-6-2-4-10-15-12)8-7-11-5-1-3-9-14-11/h1-10H/b8-7+

InChIKey

NQPQEIXQYLCOTE-BQYQJAHWSA-N

Compound name

(E)-1,3-dipyridin-2-ylprop-2-en-1-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 5
Patents: 210.07932 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]+	211.08660	145.8
[M+Na]+	233.06854	153.2
[M-H]-	209.07204	149.4
[M+NH4]+	228.11314	161.1
[M+K]+	249.04248	148.9
[M+H-H2O]+	193.07658	136.8
[M+HCOO]-	255.07752	167.4
[M+CH3COO]-	269.09317	185.0
[M+Na-2H]-	231.05399	153.4
[M]+	210.07877	144.7
[M]-	210.07987	144.7

Literature stripe

literature stripe

Patent stripe

patents stripe