CID 2986317

73987-39-0

Structural Information

Molecular Formula
C13H13NO3
SMILES
CCOC(=O)C1=C(NC2=CC=CC=C2C1=O)C
InChI
InChI=1S/C13H13NO3/c1-3-17-13(16)11-8(2)14-10-7-5-4-6-9(10)12(11)15/h4-7H,3H2,1-2H3,(H,14,15)
InChIKey
PHRRSYMXOIKRAW-UHFFFAOYSA-N
Compound name
ethyl 2-methyl-4-oxo-1H-quinoline-3-carboxylate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

5
References

26
Patents

231.08954 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 232.09682 148.7
[M+Na]+ 254.07876 158.4
[M-H]- 230.08226 151.2
[M+NH4]+ 249.12336 166.2
[M+K]+ 270.05270 154.7
[M+H-H2O]+ 214.08680 142.0
[M+HCOO]- 276.08774 169.0
[M+CH3COO]- 290.10339 189.2
[M+Na-2H]- 252.06421 154.3
[M]+ 231.08899 150.9
[M]- 231.09009 150.9
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

patents stripe