CID 3009687

2h-benzo[g]isoquinoline-3,5,10-trione

Structural Information

Molecular Formula
C13H7NO3
SMILES
C1=CC=C2C(=C1)C(=O)C3=CC(=O)NC=C3C2=O
InChI
InChI=1S/C13H7NO3/c15-11-5-9-10(6-14-11)13(17)8-4-2-1-3-7(8)12(9)16/h1-6H,(H,14,15)
InChIKey
HUSNZMLHHYNQAP-UHFFFAOYSA-N
Compound name
2H-benzo[g]isoquinoline-3,5,10-trione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

225.04259 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 226.04987 143.5
[M+Na]+ 248.03181 154.8
[M-H]- 224.03531 147.1
[M+NH4]+ 243.07641 162.0
[M+K]+ 264.00575 149.6
[M+H-H2O]+ 208.03985 136.6
[M+HCOO]- 270.04079 163.2
[M+CH3COO]- 284.05644 156.7
[M+Na-2H]- 246.01726 151.8
[M]+ 225.04204 143.3
[M]- 225.04314 143.3
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.