CID 2839472

3-(3-pyridinyl)-1-(4-pyridinyl)-2-propen-1-one

Structural Information

Molecular Formula
C13H10N2O
SMILES
C1=CC(=CN=C1)C=CC(=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
InChIKey
UOWGYMNWMDNSTL-UHFFFAOYSA-N
Compound name
3-pyridin-3-yl-1-pyridin-4-ylprop-2-en-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

24
References

210
Patents

210.07932 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 211.086596 145.8
[M+Na]+ 233.068538 153.2
[M-H]- 209.072044 149.4
[M+NH4]+ 228.113143 161.1
[M+K]+ 249.042478 148.9
[M+H-H2O]+ 193.076580 136.8
[M+HCOO]- 255.077521 167.4
[M+CH3COO]- 269.093171 185.0
[M+Na-2H]- 231.053986 153.4
[M]+ 210.07877142 144.7
[M]- 210.07986858 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