CID 323480

Diethyl 2,6-dimethyl-4-(3,4,5-trimethoxyphenyl)-1,4-dihydropyridine-3,5-dicarboxylate

Structural Information

Molecular Formula
C22H29NO7
SMILES
CCOC(=O)C1=C(NC(=C(C1C2=CC(=C(C(=C2)OC)OC)OC)C(=O)OCC)C)C
InChI
InChI=1S/C22H29NO7/c1-8-29-21(24)17-12(3)23-13(4)18(22(25)30-9-2)19(17)14-10-15(26-5)20(28-7)16(11-14)27-6/h10-11,19,23H,8-9H2,1-7H3
InChIKey
JRPLEVHPTJLZEV-UHFFFAOYSA-N
Compound name
diethyl 2,6-dimethyl-4-(3,4,5-trimethoxyphenyl)-1,4-dihydropyridine-3,5-dicarboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

419.1944 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 420.201676 197.9
[M+Na]+ 442.183618 204.9
[M-H]- 418.187124 202.4
[M+NH4]+ 437.228223 206.8
[M+K]+ 458.157558 203.5
[M+H-H2O]+ 402.191660 188.9
[M+HCOO]- 464.192601 214.9
[M+CH3COO]- 478.208251 228.8
[M+Na-2H]- 440.169066 193.9
[M]+ 419.19385142 207.1
[M]- 419.19494858 207.1
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

No patent data available for this compound.