CID 118917

Einecs 252-883-9

Structural Information

Molecular Formula
C23H23NO4
SMILES
CC1C(=CNC(=C1C(=O)OCC2=CC=CC=C2)C)C(=O)OCC3=CC=CC=C3
InChI
InChI=1S/C23H23NO4/c1-16-20(22(25)27-14-18-9-5-3-6-10-18)13-24-17(2)21(16)23(26)28-15-19-11-7-4-8-12-19/h3-13,16,24H,14-15H2,1-2H3
InChIKey
KIBXLHFHSAYINZ-UHFFFAOYSA-N
Compound name
dibenzyl 2,4-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

377.16272 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 378.17000 192.0
[M+Na]+ 400.15194 205.9
[M+NH4]+ 395.19654 198.0
[M+K]+ 416.12588 198.5
[M-H]- 376.15544 196.4
[M+Na-2H]- 398.13739 200.2
[M]+ 377.16217 195.2
[M]- 377.16327 195.2
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.