CID 982783

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

Structural Information

Molecular Formula
C20H25NO6
SMILES
CCOC(=O)C1=C(NC(=C(C1C2=CC(=C(C=C2)OC)O)C(=O)OCC)C)C
InChI
InChI=1S/C20H25NO6/c1-6-26-19(23)16-11(3)21-12(4)17(20(24)27-7-2)18(16)13-8-9-15(25-5)14(22)10-13/h8-10,18,21-22H,6-7H2,1-5H3
InChIKey
CBKXUHBWDZNIAE-UHFFFAOYSA-N
Compound name
diethyl 4-(3-hydroxy-4-methoxyphenyl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

375.16818 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 376.17546 187.8
[M+Na]+ 398.15740 194.7
[M-H]- 374.16090 190.9
[M+NH4]+ 393.20200 197.7
[M+K]+ 414.13134 191.9
[M+H-H2O]+ 358.16544 179.5
[M+HCOO]- 420.16638 203.8
[M+CH3COO]- 434.18203 217.1
[M+Na-2H]- 396.14285 184.7
[M]+ 375.16763 192.6
[M]- 375.16873 192.6
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.