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: 1
References: 56
Patents: 270.06406 Da
Monoisotopic Mass: 2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[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

Literature stripe

literature stripe

Patent stripe

patents stripe