CID 3009677

2-methyl-7h-furo[3,2-g]isoquinoline-4,6,9-trione

Structural Information

Molecular Formula
C12H7NO4
SMILES
CC1=CC2=C(O1)C(=O)C3=CNC(=O)C=C3C2=O
InChI
InChI=1S/C12H7NO4/c1-5-2-7-10(15)6-3-9(14)13-4-8(6)11(16)12(7)17-5/h2-4H,1H3,(H,13,14)
InChIKey
DSIKOGNFKDWFRQ-UHFFFAOYSA-N
Compound name
2-methyl-7H-furo[3,2-g]isoquinoline-4,6,9-trione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

229.0375 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 230.04478 143.5
[M+Na]+ 252.02672 156.2
[M-H]- 228.03022 148.5
[M+NH4]+ 247.07132 162.9
[M+K]+ 268.00066 152.8
[M+H-H2O]+ 212.03476 138.1
[M+HCOO]- 274.03570 163.7
[M+CH3COO]- 288.05135 157.8
[M+Na-2H]- 250.01217 149.7
[M]+ 229.03695 146.4
[M]- 229.03805 146.4
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.