CID 114086

8-quinolinolium 1'-hydroxy-2'-naphthoate

Structural Information

Molecular Formula
C20H15NO3
SMILES
C1=CC2=C(C(=C1)OC3=C(C4=CC=CC(=C4C=C3)CO)O)N=CC=C2
InChI
InChI=1S/C20H15NO3/c22-12-14-5-1-7-16-15(14)9-10-18(20(16)23)24-17-8-2-4-13-6-3-11-21-19(13)17/h1-11,22-23H,12H2
InChIKey
WBDTXCLZEVWWFL-UHFFFAOYSA-N
Compound name
5-(hydroxymethyl)-2-quinolin-8-yloxynaphthalen-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

317.1052 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 318.11248 174.0
[M+Na]+ 340.09442 192.4
[M+NH4]+ 335.13902 183.0
[M+K]+ 356.06836 182.8
[M-H]- 316.09792 179.5
[M+Na-2H]- 338.07987 183.8
[M]+ 317.10465 178.5
[M]- 317.10575 178.5
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