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
1
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]+ 272.09175 158.3
[M+Na]+ 294.07369 169.3
[M-H]- 270.07719 162.6
[M+NH4]+ 289.11829 176.4
[M+K]+ 310.04763 166.3
[M+H-H2O]+ 254.08173 150.9
[M+HCOO]- 316.08267 177.3
[M+CH3COO]- 330.09832 203.0
[M+Na-2H]- 292.05914 164.1
[M]+ 271.08392 164.0
[M]- 271.08502 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