CID 376363

36422-59-0

Structural Information

Molecular Formula
C20H25NO4
SMILES
CCOC(=O)C1=C(NC(=C(C1C2=CC=C(C=C2)C)C(=O)OCC)C)C
InChI
InChI=1S/C20H25NO4/c1-6-24-19(22)16-13(4)21-14(5)17(20(23)25-7-2)18(16)15-10-8-12(3)9-11-15/h8-11,18,21H,6-7H2,1-5H3
InChIKey
YSDNGJONQCXVPU-UHFFFAOYSA-N
Compound name
diethyl 2,6-dimethyl-4-(4-methylphenyl)-1,4-dihydropyridine-3,5-dicarboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

17
Patents

343.17834 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 344.18562 182.3
[M+Na]+ 366.16756 189.2
[M-H]- 342.17106 186.5
[M+NH4]+ 361.21216 194.1
[M+K]+ 382.14150 185.6
[M+H-H2O]+ 326.17560 173.9
[M+HCOO]- 388.17654 199.5
[M+CH3COO]- 402.19219 213.6
[M+Na-2H]- 364.15301 180.0
[M]+ 343.17779 185.7
[M]- 343.17889 185.7
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