CID 100279

23125-30-6

Structural Information

Molecular Formula
C18H22N2O4
SMILES
CCOC(=O)C1=C(NC(=C(C1C2=CN=CC=C2)C(=O)OCC)C)C
InChI
InChI=1S/C18H22N2O4/c1-5-23-17(21)14-11(3)20-12(4)15(18(22)24-6-2)16(14)13-8-7-9-19-10-13/h7-10,16,20H,5-6H2,1-4H3
InChIKey
KOJAOTUSRSJRFI-UHFFFAOYSA-N
Compound name
diethyl 2,6-dimethyl-4-pyridin-3-yl-1,4-dihydropyridine-3,5-dicarboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

4
References

7
Patents

330.15796 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 331.16524 178.6
[M+Na]+ 353.14718 185.4
[M-H]- 329.15068 181.3
[M+NH4]+ 348.19178 189.3
[M+K]+ 369.12112 181.9
[M+H-H2O]+ 313.15522 169.4
[M+HCOO]- 375.15616 195.2
[M+CH3COO]- 389.17181 209.1
[M+Na-2H]- 351.13263 178.1
[M]+ 330.15741 181.3
[M]- 330.15851 181.3
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.