CID 1523963

Dipropan-2-yl 2,6-dimethyl-4-(4-methylphenyl)-1,4-dihydropyridine-3,5-dicarboxylate

Structural Information

Molecular Formula
C22H29NO4
SMILES
CC1=CC=C(C=C1)C2C(=C(NC(=C2C(=O)OC(C)C)C)C)C(=O)OC(C)C
InChI
InChI=1S/C22H29NO4/c1-12(2)26-21(24)18-15(6)23-16(7)19(22(25)27-13(3)4)20(18)17-10-8-14(5)9-11-17/h8-13,20,23H,1-7H3
InChIKey
VAAMGVDCKKKIJU-UHFFFAOYSA-N
Compound name
dipropan-2-yl 2,6-dimethyl-4-(4-methylphenyl)-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 190.9
[M+Na]+ 394.19888 202.2
[M+NH4]+ 389.24348 195.6
[M+K]+ 410.17282 197.7
[M-H]- 370.20238 192.2
[M+Na-2H]- 392.18433 194.2
[M]+ 371.20911 192.7
[M]- 371.21021 192.7
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

No patent data available for this compound.