CID 99354

1539-57-7

Structural Information

Molecular Formula
C20H25NO4
SMILES
CCOC(=O)C1=C(NC(=C(C1CC2=CC=CC=C2)C(=O)OCC)C)C
InChI
InChI=1S/C20H25NO4/c1-5-24-19(22)17-13(3)21-14(4)18(20(23)25-6-2)16(17)12-15-10-8-7-9-11-15/h7-11,16,21H,5-6,12H2,1-4H3
InChIKey
JHHPUDNXDLHTHP-UHFFFAOYSA-N
Compound name
diethyl 4-benzyl-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

10
Patents

343.17834 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 344.18562 183.7
[M+Na]+ 366.16756 195.7
[M+NH4]+ 361.21216 189.0
[M+K]+ 382.14150 189.7
[M-H]- 342.17106 185.3
[M+Na-2H]- 364.15301 188.2
[M]+ 343.17779 185.6
[M]- 343.17889 185.6
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