CID 451405

7-methoxy-6-methyl-5,8-dihydroquinoline-5,8-dione

Structural Information

Molecular Formula
C11H9NO3
SMILES
CC1=C(C(=O)C2=C(C1=O)C=CC=N2)OC
InChI
InChI=1S/C11H9NO3/c1-6-9(13)7-4-3-5-12-8(7)10(14)11(6)15-2/h3-5H,1-2H3
InChIKey
XODJZOPPDQSCDJ-UHFFFAOYSA-N
Compound name
7-methoxy-6-methylquinoline-5,8-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

203.05824 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 204.065516 138.9
[M+Na]+ 226.047458 150.1
[M-H]- 202.050964 143.1
[M+NH4]+ 221.092063 158.5
[M+K]+ 242.021398 147.5
[M+H-H2O]+ 186.055500 132.5
[M+HCOO]- 248.056441 161.0
[M+CH3COO]- 262.072091 186.9
[M+Na-2H]- 224.032906 145.8
[M]+ 203.05769142 142.0
[M]- 203.05878858 142.0
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.