CID 619869

10354-31-1

Structural Information

Molecular Formula
C20H25NO6
SMILES
CCOC(=O)C1=C(NC(=C(C1C2=CC(=C(C=C2)O)OC)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)13-8-9-14(22)15(10-13)25-5/h8-10,18,21-22H,6-7H2,1-5H3
InChIKey
SDMZMDLTNSKXGE-UHFFFAOYSA-N
Compound name
diethyl 4-(4-hydroxy-3-methoxyphenyl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

10
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

patents stripe