CID 377058

Nsc658273

Structural Information

Molecular Formula
C17H23NO7
SMILES
CCOC(=O)C1=C(N(C(=C(C1)C(=O)OCC)C)C(=O)C(=O)OCC)C
InChI
InChI=1S/C17H23NO7/c1-6-23-15(20)12-9-13(16(21)24-7-2)11(5)18(10(12)4)14(19)17(22)25-8-3/h6-9H2,1-5H3
InChIKey
YDOMTEZPKRUOCO-UHFFFAOYSA-N
Compound name
diethyl 1-(2-ethoxy-2-oxoacetyl)-2,6-dimethyl-4H-pyridine-3,5-dicarboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

353.14746 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 354.15474 177.0
[M+Na]+ 376.13668 183.6
[M-H]- 352.14018 179.3
[M+NH4]+ 371.18128 189.2
[M+K]+ 392.11062 183.9
[M+H-H2O]+ 336.14472 169.9
[M+HCOO]- 398.14566 194.6
[M+CH3COO]- 412.16131 214.8
[M+Na-2H]- 374.12213 173.6
[M]+ 353.14691 185.1
[M]- 353.14801 185.1
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

No patent data available for this compound.