CID 3009685

Methyl 3,5,10-trioxo-2h-benzo[g]isoquinoline-9-carboxylate

Structural Information

Molecular Formula
C15H9NO5
SMILES
COC(=O)C1=CC=CC2=C1C(=O)C3=CNC(=O)C=C3C2=O
InChI
InChI=1S/C15H9NO5/c1-21-15(20)8-4-2-3-7-12(8)14(19)10-6-16-11(17)5-9(10)13(7)18/h2-6H,1H3,(H,16,17)
InChIKey
KOQUAHZJUXCWSM-UHFFFAOYSA-N
Compound name
methyl 3,5,10-trioxo-2H-benzo[g]isoquinoline-9-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

283.04807 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 284.05535 157.1
[M+Na]+ 306.03729 168.0
[M-H]- 282.04079 160.8
[M+NH4]+ 301.08189 173.2
[M+K]+ 322.01123 163.8
[M+H-H2O]+ 266.04533 149.9
[M+HCOO]- 328.04627 175.5
[M+CH3COO]- 342.06192 199.1
[M+Na-2H]- 304.02274 162.7
[M]+ 283.04752 159.5
[M]- 283.04862 159.5
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.