CID 3009686

6-hydroxy-1,4-dimethyl-2h-benzo[g]isoquinoline-3,5,10-trione

Structural Information

Molecular Formula
C15H11NO4
SMILES
CC1=C2C(=C(NC1=O)C)C(=O)C3=C(C2=O)C(=CC=C3)O
InChI
InChI=1S/C15H11NO4/c1-6-10-11(7(2)16-15(6)20)13(18)8-4-3-5-9(17)12(8)14(10)19/h3-5,17H,1-2H3,(H,16,20)
InChIKey
MQCYVZMDKNZKBC-UHFFFAOYSA-N
Compound name
6-hydroxy-1,4-dimethyl-2H-benzo[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

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 270.07610 156.5
[M+Na]+ 292.05804 168.9
[M-H]- 268.06154 159.5
[M+NH4]+ 287.10264 173.3
[M+K]+ 308.03198 163.4
[M+H-H2O]+ 252.06608 150.0
[M+HCOO]- 314.06702 173.9
[M+CH3COO]- 328.08267 197.7
[M+Na-2H]- 290.04349 161.2
[M]+ 269.06827 157.9
[M]- 269.06937 157.9
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.