CID 1523974

Diethyl 4-(4-isopropylphenyl)-2,6-dimethyl-1,4-dihydro-3,5-pyridinedicarboxylate

Structural Information

Molecular Formula
C22H29NO4
SMILES
CCOC(=O)C1=C(NC(=C(C1C2=CC=C(C=C2)C(C)C)C(=O)OCC)C)C
InChI
InChI=1S/C22H29NO4/c1-7-26-21(24)18-14(5)23-15(6)19(22(25)27-8-2)20(18)17-11-9-16(10-12-17)13(3)4/h9-13,20,23H,7-8H2,1-6H3
InChIKey
RZGUDFGNIVUKQG-UHFFFAOYSA-N
Compound name
diethyl 2,6-dimethyl-4-(4-propan-2-ylphenyl)-1,4-dihydropyridine-3,5-dicarboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

371.20966 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 372.21694 190.5
[M+Na]+ 394.19888 196.3
[M-H]- 370.20238 194.4
[M+NH4]+ 389.24348 201.2
[M+K]+ 410.17282 192.9
[M+H-H2O]+ 354.20692 182.1
[M+HCOO]- 416.20786 206.1
[M+CH3COO]- 430.22351 220.4
[M+Na-2H]- 392.18433 186.2
[M]+ 371.20911 194.1
[M]- 371.21021 194.1
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

No patent data available for this compound.