CID 363562

9-phenylfuro[3,4-b]quinoline-1,3-dione

Structural Information

Molecular Formula
C17H9NO3
SMILES
C1=CC=C(C=C1)C2=C3C(=NC4=CC=CC=C42)C(=O)OC3=O
InChI
InChI=1S/C17H9NO3/c19-16-14-13(10-6-2-1-3-7-10)11-8-4-5-9-12(11)18-15(14)17(20)21-16/h1-9H
InChIKey
YGMDAMKEDDXTNJ-UHFFFAOYSA-N
Compound name
9-phenylfuro[3,4-b]quinoline-1,3-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

275.05826 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 276.06554 159.0
[M+Na]+ 298.04748 170.1
[M-H]- 274.05098 167.8
[M+NH4]+ 293.09208 176.3
[M+K]+ 314.02142 165.9
[M+H-H2O]+ 258.05552 151.1
[M+HCOO]- 320.05646 179.9
[M+CH3COO]- 334.07211 172.3
[M+Na-2H]- 296.03293 165.3
[M]+ 275.05771 161.4
[M]- 275.05881 161.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.