CID 72811

41148-77-0

Structural Information

Molecular Formula
C14H10N2O4
SMILES
COC1=C2C(=C3C(=C1)C=CC=N3)NC=C(C2=O)C(=O)O
InChI
InChI=1S/C14H10N2O4/c1-20-9-5-7-3-2-4-15-11(7)12-10(9)13(17)8(6-16-12)14(18)19/h2-6H,1H3,(H,16,17)(H,18,19)
InChIKey
VFISBMJRYFYJIF-UHFFFAOYSA-N
Compound name
5-methoxy-4-oxo-1H-1,10-phenanthroline-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

56
Patents

270.06406 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 271.07134 156.6
[M+Na]+ 293.05328 168.2
[M-H]- 269.05678 158.0
[M+NH4]+ 288.09788 171.3
[M+K]+ 309.02722 163.1
[M+H-H2O]+ 253.06132 148.8
[M+HCOO]- 315.06226 174.8
[M+CH3COO]- 329.07791 168.5
[M+Na-2H]- 291.03873 164.7
[M]+ 270.06351 159.8
[M]- 270.06461 159.8
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

patents stripe