CID 367729

Nsc637666

Structural Information

Molecular Formula
C17H16N2O3
SMILES
CCOC1=C2C=CC3=C(C2=NC=C1C(=O)OCC)C=CC=N3
InChI
InChI=1S/C17H16N2O3/c1-3-21-16-12-7-8-14-11(6-5-9-18-14)15(12)19-10-13(16)17(20)22-4-2/h5-10H,3-4H2,1-2H3
InChIKey
LPIWHZUXJFWRMS-UHFFFAOYSA-N
Compound name
ethyl 4-ethoxy-1,7-phenanthroline-3-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

296.1161 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 297.12338 168.1
[M+Na]+ 319.10532 178.2
[M-H]- 295.10882 171.2
[M+NH4]+ 314.14992 182.9
[M+K]+ 335.07926 173.9
[M+H-H2O]+ 279.11336 158.7
[M+HCOO]- 341.11430 187.9
[M+CH3COO]- 355.12995 204.6
[M+Na-2H]- 317.09077 176.0
[M]+ 296.11555 174.5
[M]- 296.11665 174.5
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.