CID 363461

Nsc628372

Structural Information

Molecular Formula
C13H13NO3
SMILES
CCC1=C(C2=NC=CC(=C2C(=O)C1=O)C)OC
InChI
InChI=1S/C13H13NO3/c1-4-8-11(15)12(16)9-7(2)5-6-14-10(9)13(8)17-3/h5-6H,4H2,1-3H3
InChIKey
ZUDKIGLVWKSJEM-UHFFFAOYSA-N
Compound name
7-ethyl-8-methoxy-4-methylquinoline-5,6-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

231.08954 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 232.09682 147.9
[M+Na]+ 254.07876 159.1
[M-H]- 230.08226 152.1
[M+NH4]+ 249.12336 166.6
[M+K]+ 270.05270 156.1
[M+H-H2O]+ 214.08680 141.3
[M+HCOO]- 276.08774 169.3
[M+CH3COO]- 290.10339 194.2
[M+Na-2H]- 252.06421 152.9
[M]+ 231.08899 152.0
[M]- 231.09009 152.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.