CID 982665

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

Structural Information

Molecular Formula
C20H25NO5
SMILES
CCOC(=O)C1=C(NC(=C(C1C2=CC(=CC=C2)OC)C(=O)OCC)C)C
InChI
InChI=1S/C20H25NO5/c1-6-25-19(22)16-12(3)21-13(4)17(20(23)26-7-2)18(16)14-9-8-10-15(11-14)24-5/h8-11,18,21H,6-7H2,1-5H3
InChIKey
XLYRLDBLJJXIRH-UHFFFAOYSA-N
Compound name
diethyl 4-(3-methoxyphenyl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

1
Patents

359.17328 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 360.18056 186.4
[M+Na]+ 382.16250 198.2
[M+NH4]+ 377.20710 191.0
[M+K]+ 398.13644 193.0
[M-H]- 358.16600 187.6
[M+Na-2H]- 380.14795 190.3
[M]+ 359.17273 188.2
[M]- 359.17383 188.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.