CID 114126

8-quinolinolium 3'-hydroxy-2'-naphthoate, copper (ii) chelate

Structural Information

Molecular Formula
C20H13NO3
SMILES
C1=CC=C2C=C(C(=CC2=C1)C(=O)OC3=CC=CC4=C3N=CC=C4)O
InChI
InChI=1S/C20H13NO3/c22-17-12-15-6-2-1-5-14(15)11-16(17)20(23)24-18-9-3-7-13-8-4-10-21-19(13)18/h1-12,22H
InChIKey
VUFHCEONFNRDIA-UHFFFAOYSA-N
Compound name
quinolin-8-yl 3-hydroxynaphthalene-2-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

315.08954 Da
Monoisotopic Mass

5.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 316.09682 171.6
[M+Na]+ 338.07876 181.1
[M-H]- 314.08226 178.0
[M+NH4]+ 333.12336 185.6
[M+K]+ 354.05270 175.2
[M+H-H2O]+ 298.08680 162.0
[M+HCOO]- 360.08774 191.4
[M+CH3COO]- 374.10339 182.9
[M+Na-2H]- 336.06421 179.9
[M]+ 315.08899 174.0
[M]- 315.09009 174.0
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.