CID 114082

8-quinolinol, 5-chloro-3'-hydroxy-2'-naphthoate

Structural Information

Molecular Formula
C20H14ClNO3
SMILES
C1=CC2=CC(=C(C=C2C(=C1)CO)O)OC3=C4C(=C(C=C3)Cl)C=CC=N4
InChI
InChI=1S/C20H14ClNO3/c21-16-6-7-18(20-14(16)5-2-8-22-20)25-19-9-12-3-1-4-13(11-23)15(12)10-17(19)24/h1-10,23-24H,11H2
InChIKey
AXOCQRIXONLMRS-UHFFFAOYSA-N
Compound name
3-(5-chloroquinolin-8-yl)oxy-8-(hydroxymethyl)naphthalen-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

351.06622 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 352.07350 178.6
[M+Na]+ 374.05544 190.3
[M-H]- 350.05894 184.0
[M+NH4]+ 369.10004 192.1
[M+K]+ 390.02938 182.5
[M+H-H2O]+ 334.06348 170.1
[M+HCOO]- 396.06442 193.2
[M+CH3COO]- 410.08007 189.6
[M+Na-2H]- 372.04089 185.7
[M]+ 351.06567 183.9
[M]- 351.06677 183.9
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.