CID 459587

Schembl11788500

Structural Information

Molecular Formula

C₁₄H₁₉NO₅

SMILES

CCOC(=O)C1=C(N(C(=C(C1=O)C(=O)OCC)C)C)C

InChI

InChI=1S/C14H19NO5/c1-6-19-13(17)10-8(3)15(5)9(4)11(12(10)16)14(18)20-7-2/h6-7H2,1-5H3

InChIKey

NFKWKANLMXLYBW-UHFFFAOYSA-N

Compound name

diethyl 1,2,6-trimethyl-4-oxopyridine-3,5-dicarboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 281.1263 Da
Monoisotopic Mass: 1.9
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]+	282.133576	158.7
[M+Na]+	304.115518	168.7
[M-H]-	280.119024	162.1
[M+NH4]+	299.160123	174.4
[M+K]+	320.089458	167.7
[M+H-H2O]+	264.123560	152.1
[M+HCOO]-	326.124501	180.0
[M+CH3COO]-	340.140151	203.4
[M+Na-2H]-	302.100966	158.9
[M]+	281.12575142	166.7
[M]-	281.12684858	166.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe