CID 11369181

128143-87-3

Structural Information

Molecular Formula
C15H12N2O3
SMILES
C1=CC=NC(=C1)C(=O)CC(=O)CC(=O)C2=CC=CC=N2
InChI
InChI=1S/C15H12N2O3/c18-11(9-14(19)12-5-1-3-7-16-12)10-15(20)13-6-2-4-8-17-13/h1-8H,9-10H2
InChIKey
UXCBOWMRKBJEGR-UHFFFAOYSA-N
Compound name
1,5-dipyridin-2-ylpentane-1,3,5-trione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

37
Patents

268.08478 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 269.09206 159.4
[M+Na]+ 291.07400 172.3
[M+NH4]+ 286.11860 165.2
[M+K]+ 307.04794 166.7
[M-H]- 267.07750 160.9
[M+Na-2H]- 289.05945 167.3
[M]+ 268.08423 161.4
[M]- 268.08533 161.4
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