CID 6447103

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

Structural Information

Molecular Formula
C17H19NO5
SMILES
CC1=C(C(C(=C(N1)C)C(=O)OC)/C=C/C2=CC=CO2)C(=O)OC
InChI
InChI=1S/C17H19NO5/c1-10-14(16(19)21-3)13(8-7-12-6-5-9-23-12)15(11(2)18-10)17(20)22-4/h5-9,13,18H,1-4H3/b8-7+
InChIKey
ABUGGFSWAQAXLV-BQYQJAHWSA-N
Compound name
dimethyl 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

317.1263 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 318.133576 173.3
[M+Na]+ 340.115518 180.9
[M-H]- 316.119024 178.6
[M+NH4]+ 335.160123 186.6
[M+K]+ 356.089458 178.8
[M+H-H2O]+ 300.123560 166.2
[M+HCOO]- 362.124501 192.0
[M+CH3COO]- 376.140151 204.1
[M+Na-2H]- 338.100966 171.8
[M]+ 317.12575142 177.3
[M]- 317.12684858 177.3
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.