CID 323480

36422-60-3

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]+ 420.20168 197.9
[M+Na]+ 442.18362 204.9
[M-H]- 418.18712 202.4
[M+NH4]+ 437.22822 206.8
[M+K]+ 458.15756 203.5
[M+H-H2O]+ 402.19166 188.9
[M+HCOO]- 464.19260 214.9
[M+CH3COO]- 478.20825 228.8
[M+Na-2H]- 440.16907 193.9
[M]+ 419.19385 207.1
[M]- 419.19495 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.