CID 3009684

6-hydroxy-4-methyl-2h-benzo[g]isoquinoline-3,5,10-trione

Structural Information

Molecular Formula
C14H9NO4
SMILES
CC1=C2C(=CNC1=O)C(=O)C3=C(C2=O)C(=CC=C3)O
InChI
InChI=1S/C14H9NO4/c1-6-10-8(5-15-14(6)19)12(17)7-3-2-4-9(16)11(7)13(10)18/h2-5,16H,1H3,(H,15,19)
InChIKey
QLLZGNQTMCVJSK-UHFFFAOYSA-N
Compound name
6-hydroxy-4-methyl-2H-benzo[g]isoquinoline-3,5,10-trione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

255.05316 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 256.06044 151.8
[M+Na]+ 278.04238 163.8
[M-H]- 254.04588 154.6
[M+NH4]+ 273.08698 168.9
[M+K]+ 294.01632 158.4
[M+H-H2O]+ 238.05042 145.3
[M+HCOO]- 300.05136 169.7
[M+CH3COO]- 314.06701 193.3
[M+Na-2H]- 276.02783 157.8
[M]+ 255.05261 152.5
[M]- 255.05371 152.5
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.