CID 114087

8-quinolinolium 3'-hydroxy-2'-naphthoate

Structural Information

Molecular Formula
C20H15NO3
SMILES
C1=CC2=C(C(=C1)OC3=C(C=C4C(=C3)C=CC=C4CO)O)N=CC=C2
InChI
InChI=1S/C20H15NO3/c22-12-15-6-1-5-14-10-19(17(23)11-16(14)15)24-18-8-2-4-13-7-3-9-21-20(13)18/h1-11,22-23H,12H2
InChIKey
DFLUEFGMDBIGRS-UHFFFAOYSA-N
Compound name
8-(hydroxymethyl)-3-quinolin-8-yloxynaphthalen-2-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 172.7
[M+Na]+ 340.09442 182.7
[M-H]- 316.09792 178.0
[M+NH4]+ 335.13902 186.3
[M+K]+ 356.06836 176.1
[M+H-H2O]+ 300.10246 163.3
[M+HCOO]- 362.10340 191.8
[M+CH3COO]- 376.11905 183.7
[M+Na-2H]- 338.07987 180.9
[M]+ 317.10465 175.1
[M]- 317.10575 175.1
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