CID 89659

22330-42-3

Structural Information

Molecular Formula
C15H13NO4
SMILES
CN1C(=O)C2=C3C(=CC=C(C3=C(C=C2)OC)OC)C1=O
InChI
InChI=1S/C15H13NO4/c1-16-14(17)8-4-6-10(19-2)13-11(20-3)7-5-9(12(8)13)15(16)18/h4-7H,1-3H3
InChIKey
GWQIRICPSOISHC-UHFFFAOYSA-N
Compound name
6,7-dimethoxy-2-methylbenzo[de]isoquinoline-1,3-dione
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

5
Patents

271.08447 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 272.091746 158.3
[M+Na]+ 294.073688 169.3
[M-H]- 270.077194 162.6
[M+NH4]+ 289.118293 176.4
[M+K]+ 310.047628 166.3
[M+H-H2O]+ 254.081730 150.9
[M+HCOO]- 316.082671 177.3
[M+CH3COO]- 330.098321 203.0
[M+Na-2H]- 292.059136 164.1
[M]+ 271.08392142 164.0
[M]- 271.08501858 164.0
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

patents stripe