CID 5720233

18550-98-6

Structural Information

Molecular Formula
C13H10N2O
SMILES
C1=CC(=CN=C1)/C=C/C(=O)C2=CC=NC=C2
InChI
InChI=1S/C13H10N2O/c16-13(12-5-8-14-9-6-12)4-3-11-2-1-7-15-10-11/h1-10H/b4-3+
InChIKey
UOWGYMNWMDNSTL-ONEGZZNKSA-N
Compound name
(E)-3-pyridin-3-yl-1-pyridin-4-ylprop-2-en-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

23
References

166
Patents

210.07932 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[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
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe