CID 5495599

Ethyl 4,10-dimethyl-2-oxo-1h-1,7-phenanthroline-9-carboxylate

Structural Information

Molecular Formula
C17H16N2O3
SMILES
CCOC(=O)C1=CN=C2C=CC3=C(C2=C1C)NC(=O)C=C3C
InChI
InChI=1S/C17H16N2O3/c1-4-22-17(21)12-8-18-13-6-5-11-9(2)7-14(20)19-16(11)15(13)10(12)3/h5-8H,4H2,1-3H3,(H,19,20)
InChIKey
PMBBDMKIWNDCMW-UHFFFAOYSA-N
Compound name
ethyl 4,10-dimethyl-2-oxo-1H-1,7-phenanthroline-9-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

296.1161 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 297.12338 167.9
[M+Na]+ 319.10532 179.7
[M-H]- 295.10882 170.5
[M+NH4]+ 314.14992 182.7
[M+K]+ 335.07926 174.2
[M+H-H2O]+ 279.11336 159.6
[M+HCOO]- 341.11430 186.4
[M+CH3COO]- 355.12995 204.1
[M+Na-2H]- 317.09077 173.9
[M]+ 296.11555 172.8
[M]- 296.11665 172.8
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.