CID 135461923

Chembl146539

Structural Information

Molecular Formula
C13H10N2O3
SMILES
COC1=CC(=O)C2=C(C3=CC=CNC3=NC2=C1)O
InChI
InChI=1S/C13H10N2O3/c1-18-7-5-9-11(10(16)6-7)12(17)8-3-2-4-14-13(8)15-9/h2-6,17H,1H3,(H,14,15)
InChIKey
CBCCIGPIWVYQDC-UHFFFAOYSA-N
Compound name
5-hydroxy-8-methoxy-1H-benzo[b][1,8]naphthyridin-6-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

242.06914 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 243.07642 150.4
[M+Na]+ 265.05836 162.7
[M-H]- 241.06186 151.9
[M+NH4]+ 260.10296 166.5
[M+K]+ 281.03230 157.2
[M+H-H2O]+ 225.06640 142.8
[M+HCOO]- 287.06734 169.7
[M+CH3COO]- 301.08299 163.0
[M+Na-2H]- 263.04381 160.1
[M]+ 242.06859 153.2
[M]- 242.06969 153.2
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.