CID 3076563

131929-07-2

Structural Information

Molecular Formula

C₁₅H₁₉NO₅

SMILES

CCOC(=O)C1C(=CNC2=C1C(=O)CCC2)C(=O)OCC

InChI

InChI=1S/C15H19NO5/c1-3-20-14(18)9-8-16-10-6-5-7-11(17)13(10)12(9)15(19)21-4-2/h8,12,16H,3-7H2,1-2H3

InChIKey

LJWHKVWUCQIKFH-UHFFFAOYSA-N

Compound name

diethyl 5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3,4-dicarboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 293.1263 Da
Monoisotopic Mass: 0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	294.133576	165.5
[M+Na]+	316.115518	171.0
[M-H]-	292.119024	166.5
[M+NH4]+	311.160123	179.8
[M+K]+	332.089458	168.7
[M+H-H2O]+	276.123560	158.5
[M+HCOO]-	338.124501	180.3
[M+CH3COO]-	352.140151	200.1
[M+Na-2H]-	314.100966	166.3
[M]+	293.12575142	165.6
[M]-	293.12684858	165.6

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.