CID 3009678

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

Structural Information

Molecular Formula
C15H11NO5
SMILES
COC(=O)C1C=CNC2=C1C(=O)C3=C(C2=O)C(=CC=C3)O
InChI
InChI=1S/C15H11NO5/c1-21-15(20)8-5-6-16-12-11(8)13(18)7-3-2-4-9(17)10(7)14(12)19/h2-6,8,16-17H,1H3
InChIKey
AFQKKUKEZOPLFB-UHFFFAOYSA-N
Compound name
methyl 9-hydroxy-5,10-dioxo-1,4-dihydrobenzo[g]quinoline-4-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

285.06372 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 286.07100 159.6
[M+Na]+ 308.05294 168.8
[M-H]- 284.05644 161.5
[M+NH4]+ 303.09754 174.9
[M+K]+ 324.02688 164.6
[M+H-H2O]+ 268.06098 152.8
[M+HCOO]- 330.06192 174.9
[M+CH3COO]- 344.07757 197.9
[M+Na-2H]- 306.03839 163.9
[M]+ 285.06317 159.6
[M]- 285.06427 159.6
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.