CID 982601

10354-29-7

Structural Information

Molecular Formula
C20H23NO6
SMILES
CCOC(=O)C1=C(NC(=C(C1C2=CC3=C(C=C2)OCO3)C(=O)OCC)C)C
InChI
InChI=1S/C20H23NO6/c1-5-24-19(22)16-11(3)21-12(4)17(20(23)25-6-2)18(16)13-7-8-14-15(9-13)27-10-26-14/h7-9,18,21H,5-6,10H2,1-4H3
InChIKey
DPYDZKLTMBIXPH-UHFFFAOYSA-N
Compound name
diethyl 4-(1,3-benzodioxol-5-yl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

5
References

0
Patents

373.15253 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 374.15981 189.0
[M+Na]+ 396.14175 195.9
[M-H]- 372.14525 195.4
[M+NH4]+ 391.18635 199.4
[M+K]+ 412.11569 195.1
[M+H-H2O]+ 356.14979 181.5
[M+HCOO]- 418.15073 203.7
[M+CH3COO]- 432.16638 216.7
[M+Na-2H]- 394.12720 187.8
[M]+ 373.15198 194.6
[M]- 373.15308 194.6
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

No patent data available for this compound.