CID 6447103

Brn 1153801

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]+ 318.13358 174.3
[M+Na]+ 340.11552 184.8
[M+NH4]+ 335.16012 178.8
[M+K]+ 356.08946 182.7
[M-H]- 316.11902 175.6
[M+Na-2H]- 338.10097 176.6
[M]+ 317.12575 175.8
[M]- 317.12685 175.8
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.