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

8
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

literature stripe

Patent stripe

patents stripe