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
2
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]+ 282.169996 165.6
[M+Na]+ 304.151938 172.7
[M-H]- 280.155444 166.6
[M+NH4]+ 299.196543 180.4
[M+K]+ 320.125878 170.7
[M+H-H2O]+ 264.159980 159.0
[M+HCOO]- 326.160921 183.2
[M+CH3COO]- 340.176571 201.5
[M+Na-2H]- 302.137386 164.2
[M]+ 281.16217142 169.5
[M]- 281.16326858 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

literature stripe

Patent stripe

patents stripe