CID 3815721

866156-54-9

Structural Information

Molecular Formula
C19H23NO4
SMILES
CCOC1=C(C(C(=C(N1)C)C(=O)OCC)C2=CC=CC(=C2)C)C=O
InChI
InChI=1S/C19H23NO4/c1-5-23-18-15(11-21)17(14-9-7-8-12(3)10-14)16(13(4)20-18)19(22)24-6-2/h7-11,17,20H,5-6H2,1-4H3
InChIKey
INMDKDGDEZPXRJ-UHFFFAOYSA-N
Compound name
ethyl 6-ethoxy-5-formyl-2-methyl-4-(3-methylphenyl)-1,4-dihydropyridine-3-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

329.16272 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 330.169996 178.0
[M+Na]+ 352.151938 185.6
[M-H]- 328.155444 182.3
[M+NH4]+ 347.196543 190.5
[M+K]+ 368.125878 181.6
[M+H-H2O]+ 312.159980 169.6
[M+HCOO]- 374.160921 196.6
[M+CH3COO]- 388.176571 210.3
[M+Na-2H]- 350.137386 177.4
[M]+ 329.16217142 181.7
[M]- 329.16326858 181.7
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.