CID 206197

43114-35-8

Structural Information

Molecular Formula
C15H17NO5
SMILES
CC1=C(C(C(=C(N1)C)C(=O)OC)C2=CC=CO2)C(=O)OC
InChI
InChI=1S/C15H17NO5/c1-8-11(14(17)19-3)13(10-6-5-7-21-10)12(9(2)16-8)15(18)20-4/h5-7,13,16H,1-4H3
InChIKey
NYYKWXVQCFNVMM-UHFFFAOYSA-N
Compound name
dimethyl 4-(furan-2-yl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

2
Patents

291.1107 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 292.11798 165.0
[M+Na]+ 314.09992 173.1
[M-H]- 290.10342 170.5
[M+NH4]+ 309.14452 179.3
[M+K]+ 330.07386 172.0
[M+H-H2O]+ 274.10796 158.1
[M+HCOO]- 336.10890 184.1
[M+CH3COO]- 350.12455 199.5
[M+Na-2H]- 312.08537 164.5
[M]+ 291.11015 169.1
[M]- 291.11125 169.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe