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

36
Patents

268.08478 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 269.092056 159.4
[M+Na]+ 291.073998 165.2
[M-H]- 267.077504 162.8
[M+NH4]+ 286.118603 171.8
[M+K]+ 307.047938 162.1
[M+H-H2O]+ 251.082040 149.8
[M+HCOO]- 313.082981 178.9
[M+CH3COO]- 327.098631 196.6
[M+Na-2H]- 289.059446 163.6
[M]+ 268.08423142 160.0
[M]- 268.08532858 160.0
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