CID 1532099

Ethyl 1-methyl-4-oxo-1,4-dihydro-3-quinolinecarboxylate

Structural Information

Molecular Formula
C13H13NO3
SMILES
CCOC(=O)C1=CN(C2=CC=CC=C2C1=O)C
InChI
InChI=1S/C13H13NO3/c1-3-17-13(16)10-8-14(2)11-7-5-4-6-9(11)12(10)15/h4-8H,3H2,1-2H3
InChIKey
YWXSZQRCUSJNGK-UHFFFAOYSA-N
Compound name
ethyl 1-methyl-4-oxoquinoline-3-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

11
Patents

231.08954 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 232.09682 148.0
[M+Na]+ 254.07876 158.1
[M-H]- 230.08226 151.9
[M+NH4]+ 249.12336 166.2
[M+K]+ 270.05270 155.3
[M+H-H2O]+ 214.08680 141.0
[M+HCOO]- 276.08774 169.8
[M+CH3COO]- 290.10339 191.7
[M+Na-2H]- 252.06421 154.1
[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

literature stripe

Patent stripe

patents stripe