CID 12446

632-93-9

Structural Information

Molecular Formula
C14H21NO4
SMILES
CCOC(=O)C1=C(NC(=C(C1C)C(=O)OCC)C)C
InChI
InChI=1S/C14H21NO4/c1-6-18-13(16)11-8(3)12(14(17)19-7-2)10(5)15-9(11)4/h8,15H,6-7H2,1-5H3
InChIKey
CDVAIHNNWWJFJW-UHFFFAOYSA-N
Compound name
diethyl 2,4,6-trimethyl-1,4-dihydropyridine-3,5-dicarboxylate
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

231
References

4430
Patents

267.14706 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 268.15434 162.9
[M+Na]+ 290.13628 173.1
[M+NH4]+ 285.18088 167.9
[M+K]+ 306.11022 169.0
[M-H]- 266.13978 161.7
[M+Na-2H]- 288.12173 164.7
[M]+ 267.14651 163.6
[M]- 267.14761 163.6
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