CID 114116

8-quinolinol, 5-chloro-3'-hydroxy-2'-naphthoate, copper (ii) chelate

Structural Information

Molecular Formula
C20H12ClNO3
SMILES
C1=CC=C2C=C(C(=CC2=C1)C(=O)OC3=C4C(=C(C=C3)Cl)C=CC=N4)O
InChI
InChI=1S/C20H12ClNO3/c21-16-7-8-18(19-14(16)6-3-9-22-19)25-20(24)15-10-12-4-1-2-5-13(12)11-17(15)23/h1-11,23H
InChIKey
LFCLIWXZIXEEKI-UHFFFAOYSA-N
Compound name
(5-chloroquinolin-8-yl) 3-hydroxynaphthalene-2-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

349.05057 Da
Monoisotopic Mass

5.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 350.05785 177.4
[M+Na]+ 372.03979 188.6
[M-H]- 348.04329 183.9
[M+NH4]+ 367.08439 191.3
[M+K]+ 388.01373 181.5
[M+H-H2O]+ 332.04783 168.6
[M+HCOO]- 394.04877 192.7
[M+CH3COO]- 408.06442 188.6
[M+Na-2H]- 370.02524 184.5
[M]+ 349.05002 182.7
[M]- 349.05112 182.7
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.