CID 211446

23118-56-1

Structural Information

Molecular Formula
C17H21NO5
SMILES
CCOC(=O)C1=C(NC(=C(C1C2=CC=CO2)C(=O)OCC)C)C
InChI
InChI=1S/C17H21NO5/c1-5-21-16(19)13-10(3)18-11(4)14(17(20)22-6-2)15(13)12-8-7-9-23-12/h7-9,15,18H,5-6H2,1-4H3
InChIKey
QEHKCWCTQOSUOP-UHFFFAOYSA-N
Compound name
diethyl 4-(furan-2-yl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

10
References

11
Patents

319.14197 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 320.14925 174.4
[M+Na]+ 342.13119 181.5
[M-H]- 318.13469 179.5
[M+NH4]+ 337.17579 187.5
[M+K]+ 358.10513 180.1
[M+H-H2O]+ 302.13923 167.1
[M+HCOO]- 364.14017 192.8
[M+CH3COO]- 378.15582 205.5
[M+Na-2H]- 340.11664 172.8
[M]+ 319.14142 179.1
[M]- 319.14252 179.2
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