CID 124065

Diethyl 4,7-dihydroxy-1,10-phenanthroline-3,8-dicarboxylate

Structural Information

Molecular Formula
C18H16N2O6
SMILES
CCOC(=O)C1=CNC2=C(C1=O)C=CC3=C2NC=C(C3=O)C(=O)OCC
InChI
InChI=1S/C18H16N2O6/c1-3-25-17(23)11-7-19-13-9(15(11)21)5-6-10-14(13)20-8-12(16(10)22)18(24)26-4-2/h5-8H,3-4H2,1-2H3,(H,19,21)(H,20,22)
InChIKey
PMZGJTQGPUEOKK-UHFFFAOYSA-N
Compound name
diethyl 4,7-dioxo-1,10-dihydro-1,10-phenanthroline-3,8-dicarboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

356.10083 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 357.10811 179.6
[M+Na]+ 379.09005 193.4
[M+NH4]+ 374.13465 183.8
[M+K]+ 395.06399 188.5
[M-H]- 355.09355 178.6
[M+Na-2H]- 377.07550 182.7
[M]+ 356.10028 181.0
[M]- 356.10138 181.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe