CID 3071449

3,5-pyridinedicarboxylic acid, 1,4-dihydro-4-(5,6-dihydro-1,4-dioxin-2-yl)-2,6-dimethyl-, dipropyl ester

Structural Information

Molecular Formula
C19H27NO6
SMILES
CCCOC(=O)C1=C(NC(=C(C1C2=COCCO2)C(=O)OCCC)C)C
InChI
InChI=1S/C19H27NO6/c1-5-7-25-18(21)15-12(3)20-13(4)16(19(22)26-8-6-2)17(15)14-11-23-9-10-24-14/h11,17,20H,5-10H2,1-4H3
InChIKey
MMPQZMGYRLFHMD-UHFFFAOYSA-N
Compound name
dipropyl 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

0
References

4
Patents

365.18384 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 366.19112 187.8
[M+Na]+ 388.17306 197.9
[M+NH4]+ 383.21766 191.7
[M+K]+ 404.14700 194.3
[M-H]- 364.17656 190.7
[M+Na-2H]- 386.15851 188.9
[M]+ 365.18329 189.7
[M]- 365.18439 189.7
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