CID 5495598

4,10-dimethyl-2-oxo-1h-1,7-phenanthroline-9-carboxylic acid

Structural Information

Molecular Formula
C15H12N2O3
SMILES
CC1=CC(=O)NC2=C1C=CC3=NC=C(C(=C32)C)C(=O)O
InChI
InChI=1S/C15H12N2O3/c1-7-5-12(18)17-14-9(7)3-4-11-13(14)8(2)10(6-16-11)15(19)20/h3-6H,1-2H3,(H,17,18)(H,19,20)
InChIKey
CLBNKDVBVZWNEN-UHFFFAOYSA-N
Compound name
4,10-dimethyl-2-oxo-1H-1,7-phenanthroline-9-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

268.08478 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 269.092056 158.8
[M+Na]+ 291.073998 171.0
[M-H]- 267.077504 160.4
[M+NH4]+ 286.118603 173.9
[M+K]+ 307.047938 165.1
[M+H-H2O]+ 251.082040 151.2
[M+HCOO]- 313.082981 176.4
[M+CH3COO]- 327.098631 170.8
[M+Na-2H]- 289.059446 165.5
[M]+ 268.08423142 161.3
[M]- 268.08532858 161.3
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

No patent data available for this compound.