CID 717286

3,5-dimethyl 2,6-dimethyl-4-[4-(propan-2-yl)phenyl]-1,4-dihydropyridine-3,5-dicarboxylate

Structural Information

Molecular Formula
C20H25NO4
SMILES
CC1=C(C(C(=C(N1)C)C(=O)OC)C2=CC=C(C=C2)C(C)C)C(=O)OC
InChI
InChI=1S/C20H25NO4/c1-11(2)14-7-9-15(10-8-14)18-16(19(22)24-5)12(3)21-13(4)17(18)20(23)25-6/h7-11,18,21H,1-6H3
InChIKey
KIDDUMMFQDUTSG-UHFFFAOYSA-N
Compound name
dimethyl 2,6-dimethyl-4-(4-propan-2-ylphenyl)-1,4-dihydropyridine-3,5-dicarboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

3
Patents

343.17834 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 344.185616 181.3
[M+Na]+ 366.167558 188.0
[M-H]- 342.171064 185.6
[M+NH4]+ 361.212163 193.1
[M+K]+ 382.141498 185.0
[M+H-H2O]+ 326.175600 173.2
[M+HCOO]- 388.176541 197.6
[M+CH3COO]- 402.192191 214.6
[M+Na-2H]- 364.153006 178.0
[M]+ 343.17779142 184.2
[M]- 343.17888858 184.2
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