CID 1351323

Diethyl 4-(4-tert-butylphenyl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate

Structural Information

Molecular Formula
C23H31NO4
SMILES
CCOC(=O)C1=C(NC(=C(C1C2=CC=C(C=C2)C(C)(C)C)C(=O)OCC)C)C
InChI
InChI=1S/C23H31NO4/c1-8-27-21(25)18-14(3)24-15(4)19(22(26)28-9-2)20(18)16-10-12-17(13-11-16)23(5,6)7/h10-13,20,24H,8-9H2,1-7H3
InChIKey
KTDOBMMDMJUIGB-UHFFFAOYSA-N
Compound name
diethyl 4-(4-tert-butylphenyl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

3
Patents

385.2253 Da
Monoisotopic Mass

5.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 386.23258 195.9
[M+Na]+ 408.21452 207.3
[M+NH4]+ 403.25912 200.5
[M+K]+ 424.18846 202.2
[M-H]- 384.21802 196.9
[M+Na-2H]- 406.19997 199.6
[M]+ 385.22475 197.7
[M]- 385.22585 197.7
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