CID 367726

Nsc637663

Structural Information

Molecular Formula
C15H12N2O3
SMILES
CCOC(=O)C1=CN=C2C3=CC=CNC3=CC=C2C1=O
InChI
InChI=1S/C15H12N2O3/c1-2-20-15(19)11-8-17-13-9-4-3-7-16-12(9)6-5-10(13)14(11)18/h3-8,16H,2H2,1H3
InChIKey
DRTVKIRODYRCTP-UHFFFAOYSA-N
Compound name
ethyl 4-oxo-7H-1,7-phenanthroline-3-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

268.08478 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 269.09206 158.1
[M+Na]+ 291.07400 169.0
[M-H]- 267.07750 160.3
[M+NH4]+ 286.11860 173.4
[M+K]+ 307.04794 163.7
[M+H-H2O]+ 251.08204 149.6
[M+HCOO]- 313.08298 177.3
[M+CH3COO]- 327.09863 170.0
[M+Na-2H]- 289.05945 166.7
[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

No literature data available for this compound.

Patent stripe

No patent data available for this compound.