CID 717286

Dimethyl 2,6-dimethyl-4-(4-propan-2-ylphenyl)-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]+ 344.18562 181.3
[M+Na]+ 366.16756 188.0
[M-H]- 342.17106 185.6
[M+NH4]+ 361.21216 193.1
[M+K]+ 382.14150 185.0
[M+H-H2O]+ 326.17560 173.2
[M+HCOO]- 388.17654 197.6
[M+CH3COO]- 402.19219 214.6
[M+Na-2H]- 364.15301 178.0
[M]+ 343.17779 184.2
[M]- 343.17889 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

No literature data available for this compound.

Patent stripe

No patent data available for this compound.