CID 654190

88045-98-1

Structural Information

Molecular Formula
C17H23NO6
SMILES
CCOC(=O)C1=C(NC(=C(C1C2=COCCO2)C(=O)OCC)C)C
InChI
InChI=1S/C17H23NO6/c1-5-22-16(19)13-10(3)18-11(4)14(17(20)23-6-2)15(13)12-9-21-7-8-24-12/h9,15,18H,5-8H2,1-4H3
InChIKey
BEJLLWYCSDDQRG-UHFFFAOYSA-N
Compound name
diethyl 4-(2,3-dihydro-1,4-dioxin-5-yl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

8
References

3
Patents

337.15253 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 338.15981 180.0
[M+Na]+ 360.14175 185.4
[M-H]- 336.14525 185.0
[M+NH4]+ 355.18635 189.0
[M+K]+ 376.11569 185.8
[M+H-H2O]+ 320.14979 171.6
[M+HCOO]- 382.15073 194.0
[M+CH3COO]- 396.16638 209.2
[M+Na-2H]- 358.12720 179.8
[M]+ 337.15198 183.4
[M]- 337.15308 183.4
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