CID 333275

66496-89-7

Structural Information

Molecular Formula
C14H9NO5
SMILES
COC(=O)C1=CC(=O)C2=C(N1)C=CC3=C2C=CC(=O)O3
InChI
InChI=1S/C14H9NO5/c1-19-14(18)9-6-10(16)13-7-2-5-12(17)20-11(7)4-3-8(13)15-9/h2-6H,1H3,(H,15,16)
InChIKey
KZCKCTCVCKQAJF-UHFFFAOYSA-N
Compound name
methyl 3,10-dioxo-7H-pyrano[3,2-f]quinoline-8-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

5
References

0
Patents

271.04807 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 272.05535 153.5
[M+Na]+ 294.03729 166.0
[M-H]- 270.04079 158.6
[M+NH4]+ 289.08189 169.0
[M+K]+ 310.01123 163.1
[M+H-H2O]+ 254.04533 146.0
[M+HCOO]- 316.04627 174.1
[M+CH3COO]- 330.06192 195.2
[M+Na-2H]- 292.02274 162.8
[M]+ 271.04752 159.4
[M]- 271.04862 159.4
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.