CID 6447102

Brn 1161224

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]+ 346.16490 182.7
[M+Na]+ 368.14684 189.3
[M-H]- 344.15034 187.5
[M+NH4]+ 363.19144 194.7
[M+K]+ 384.12078 186.8
[M+H-H2O]+ 328.15488 175.1
[M+HCOO]- 390.15582 200.6
[M+CH3COO]- 404.17147 210.0
[M+Na-2H]- 366.13229 180.1
[M]+ 345.15707 187.3
[M]- 345.15817 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.