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

18
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 182.9
[M+Na]+ 366.16756 188.9
[M-H]- 342.17106 186.7
[M+NH4]+ 361.21216 194.5
[M+K]+ 382.14150 185.2
[M+H-H2O]+ 326.17560 174.3
[M+HCOO]- 388.17654 200.2
[M+CH3COO]- 402.19219 212.3
[M+Na-2H]- 364.15301 181.3
[M]+ 343.17779 185.9
[M]- 343.17889 185.9
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.