CID 70857

1153-66-8

Structural Information

Molecular Formula
C15H23NO4
SMILES
CCC1C(=C(NC(=C1C(=O)OCC)C)C)C(=O)OCC
InChI
InChI=1S/C15H23NO4/c1-6-11-12(14(17)19-7-2)9(4)16-10(5)13(11)15(18)20-8-3/h11,16H,6-8H2,1-5H3
InChIKey
PIHXXQOZBCWXOB-UHFFFAOYSA-N
Compound name
diethyl 4-ethyl-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

30
References

39
Patents

281.16272 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 282.17000 165.6
[M+Na]+ 304.15194 172.7
[M-H]- 280.15544 166.6
[M+NH4]+ 299.19654 180.4
[M+K]+ 320.12588 170.7
[M+H-H2O]+ 264.15998 159.0
[M+HCOO]- 326.16092 183.2
[M+CH3COO]- 340.17657 201.5
[M+Na-2H]- 302.13739 164.2
[M]+ 281.16217 169.5
[M]- 281.16327 169.5
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.