CID 226784

1,3-dipyridin-3-ylpropane-1,3-dione

Structural Information

Molecular Formula
C13H10N2O2
SMILES
C1=CC(=CN=C1)C(=O)CC(=O)C2=CN=CC=C2
InChI
InChI=1S/C13H10N2O2/c16-12(10-3-1-5-14-8-10)7-13(17)11-4-2-6-15-9-11/h1-6,8-9H,7H2
InChIKey
KFODMJZTQLZQBN-UHFFFAOYSA-N
Compound name
1,3-dipyridin-3-ylpropane-1,3-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

4
References

150
Patents

226.07423 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 227.08151 149.1
[M+Na]+ 249.06345 163.3
[M+NH4]+ 244.10805 156.3
[M+K]+ 265.03739 156.8
[M-H]- 225.06695 151.7
[M+Na-2H]- 247.04890 158.5
[M]+ 226.07368 151.8
[M]- 226.07478 151.8
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