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]+ 269.092056 158.1
[M+Na]+ 291.073998 169.0
[M-H]- 267.077504 160.3
[M+NH4]+ 286.118603 173.4
[M+K]+ 307.047938 163.7
[M+H-H2O]+ 251.082040 149.6
[M+HCOO]- 313.082981 177.3
[M+CH3COO]- 327.098631 170.0
[M+Na-2H]- 289.059446 166.7
[M]+ 268.08423142 161.4
[M]- 268.08532858 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.