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

Adduct m/z Predicted CCS (Ų)
[M+H]+ 282.13358 158.7
[M+Na]+ 304.11552 168.7
[M-H]- 280.11902 162.1
[M+NH4]+ 299.16012 174.4
[M+K]+ 320.08946 167.7
[M+H-H2O]+ 264.12356 152.1
[M+HCOO]- 326.12450 180.0
[M+CH3COO]- 340.14015 203.4
[M+Na-2H]- 302.10097 158.9
[M]+ 281.12575 166.7
[M]- 281.12685 166.7
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

patents stripe