CID 6447102

3,5-pyridinedicarboxylic acid, 1,4-dihydro-2,6-dimethyl-4-(2-(2-furanyl)ethenyl)-, diethyl ester

Structural Information

Molecular Formula
C19H23NO5
SMILES
CCOC(=O)C1=C(NC(=C(C1/C=C/C2=CC=CO2)C(=O)OCC)C)C
InChI
InChI=1S/C19H23NO5/c1-5-23-18(21)16-12(3)20-13(4)17(19(22)24-6-2)15(16)10-9-14-8-7-11-25-14/h7-11,15,20H,5-6H2,1-4H3/b10-9+
InChIKey
BCHFUYIQSBQPHC-MDZDMXLPSA-N
Compound name
diethyl 4-[(E)-2-(furan-2-yl)ethenyl]-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

345.15762 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 346.164896 182.7
[M+Na]+ 368.146838 189.3
[M-H]- 344.150344 187.5
[M+NH4]+ 363.191443 194.7
[M+K]+ 384.120778 186.8
[M+H-H2O]+ 328.154880 175.1
[M+HCOO]- 390.155821 200.6
[M+CH3COO]- 404.171471 210.0
[M+Na-2H]- 366.132286 180.1
[M]+ 345.15707142 187.3
[M]- 345.15816858 187.3
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.