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]+ 269.09206 158.8
[M+Na]+ 291.07400 171.0
[M-H]- 267.07750 160.4
[M+NH4]+ 286.11860 173.9
[M+K]+ 307.04794 165.1
[M+H-H2O]+ 251.08204 151.2
[M+HCOO]- 313.08298 176.4
[M+CH3COO]- 327.09863 170.8
[M+Na-2H]- 289.05945 165.5
[M]+ 268.08423 161.3
[M]- 268.08533 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.