CID 3009679

Methyl 6,9-dihydroxy-5,10-dioxo-1,4-dihydrobenzo[g]quinoline-4-carboxylate

Structural Information

Molecular Formula
C15H11NO6
SMILES
COC(=O)C1C=CNC2=C1C(=C3C(=O)C=CC(=O)C3=C2O)O
InChI
InChI=1S/C15H11NO6/c1-22-15(21)6-4-5-16-12-9(6)13(19)10-7(17)2-3-8(18)11(10)14(12)20/h2-6,16,19-20H,1H3
InChIKey
NCASZYFXMLZPIO-UHFFFAOYSA-N
Compound name
methyl 5,10-dihydroxy-6,9-dioxo-1,4-dihydrobenzo[g]quinoline-4-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

301.05862 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 302.06590 162.8
[M+Na]+ 324.04784 172.1
[M-H]- 300.05134 163.6
[M+NH4]+ 319.09244 176.8
[M+K]+ 340.02178 168.0
[M+H-H2O]+ 284.05588 156.2
[M+HCOO]- 346.05682 176.6
[M+CH3COO]- 360.07247 199.6
[M+Na-2H]- 322.03329 166.1
[M]+ 301.05807 162.8
[M]- 301.05917 162.8
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.