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
4
Annotation Hits

231
References

4416
Patents

267.14706 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 268.154336 161.0
[M+Na]+ 290.136278 168.5
[M-H]- 266.139784 162.2
[M+NH4]+ 285.180883 176.3
[M+K]+ 306.110218 166.8
[M+H-H2O]+ 250.144320 154.6
[M+HCOO]- 312.145261 178.9
[M+CH3COO]- 326.160911 198.6
[M+Na-2H]- 288.121726 160.1
[M]+ 267.14651142 164.5
[M]- 267.14760858 164.5
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