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]+ 330.17000 178.0
[M+Na]+ 352.15194 185.6
[M-H]- 328.15544 182.3
[M+NH4]+ 347.19654 190.5
[M+K]+ 368.12588 181.6
[M+H-H2O]+ 312.15998 169.6
[M+HCOO]- 374.16092 196.6
[M+CH3COO]- 388.17657 210.3
[M+Na-2H]- 350.13739 177.4
[M]+ 329.16217 181.7
[M]- 329.16327 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.