CID 3009681

2-methylbenzo[g]isoquinoline-3,5,10-trione

Structural Information

Molecular Formula
C14H9NO3
SMILES
CN1C=C2C(=CC1=O)C(=O)C3=CC=CC=C3C2=O
InChI
InChI=1S/C14H9NO3/c1-15-7-11-10(6-12(15)16)13(17)8-4-2-3-5-9(8)14(11)18/h2-7H,1H3
InChIKey
JMBRSDGKKVUTPD-UHFFFAOYSA-N
Compound name
2-methylbenzo[g]isoquinoline-3,5,10-trione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

239.05824 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 240.06552 147.5
[M+Na]+ 262.04746 159.7
[M-H]- 238.05096 152.8
[M+NH4]+ 257.09206 166.5
[M+K]+ 278.02140 155.2
[M+H-H2O]+ 222.05550 140.3
[M+HCOO]- 284.05644 168.4
[M+CH3COO]- 298.07209 194.4
[M+Na-2H]- 260.03291 155.0
[M]+ 239.05769 149.9
[M]- 239.05879 149.9
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.