CID 989165

42972-42-9

Structural Information

Molecular Formula
C20H25NO5
SMILES
CCOC(=O)C1=C(NC(=C(C1C2=CC=CC=C2OC)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)14-10-8-9-11-15(14)24-5/h8-11,18,21H,6-7H2,1-5H3
InChIKey
CKXAAXUYRZNYJP-UHFFFAOYSA-N
Compound name
diethyl 4-(2-methoxyphenyl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

14
Patents

359.17328 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 360.18056 185.1
[M+Na]+ 382.16250 191.8
[M-H]- 358.16600 189.3
[M+NH4]+ 377.20710 196.2
[M+K]+ 398.13644 189.0
[M+H-H2O]+ 342.17054 176.5
[M+HCOO]- 404.17148 202.5
[M+CH3COO]- 418.18713 215.8
[M+Na-2H]- 380.14795 183.0
[M]+ 359.17273 189.9
[M]- 359.17383 189.9
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