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

108
Patents

226.07423 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 227.081506 148.6
[M+Na]+ 249.063448 155.6
[M-H]- 225.066954 152.3
[M+NH4]+ 244.108053 163.1
[M+K]+ 265.037388 152.3
[M+H-H2O]+ 209.071490 139.5
[M+HCOO]- 271.072431 169.5
[M+CH3COO]- 285.088081 188.5
[M+Na-2H]- 247.048896 155.1
[M]+ 226.07368142 148.5
[M]- 226.07477858 148.5
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