CID 3009683

9-hydroxy-1,2-dimethyl-benzo[g]isoquinoline-3,5,10-trione

Structural Information

Molecular Formula
C15H11NO4
SMILES
CC1=C2C(=CC(=O)N1C)C(=O)C3=C(C2=O)C(=CC=C3)O
InChI
InChI=1S/C15H11NO4/c1-7-12-9(6-11(18)16(7)2)14(19)8-4-3-5-10(17)13(8)15(12)20/h3-6,17H,1-2H3
InChIKey
WRALZTZUIQNURB-UHFFFAOYSA-N
Compound name
9-hydroxy-1,2-dimethylbenzo[g]isoquinoline-3,5,10-trione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

269.06882 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 270.07610 155.7
[M+Na]+ 292.05804 168.5
[M-H]- 268.06154 160.0
[M+NH4]+ 287.10264 173.2
[M+K]+ 308.03198 163.8
[M+H-H2O]+ 252.06608 148.9
[M+HCOO]- 314.06702 174.6
[M+CH3COO]- 328.08267 199.9
[M+Na-2H]- 290.04349 160.9
[M]+ 269.06827 158.9
[M]- 269.06937 158.9
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.