CID 3043592

3,3-diethyl-5-diphenylacetyloxymethyl-2,4-pyridinedione

Structural Information

Molecular Formula
C24H25NO4
SMILES
CCC1(C(=O)C(=CNC1=O)COC(=O)C(C2=CC=CC=C2)C3=CC=CC=C3)CC
InChI
InChI=1S/C24H25NO4/c1-3-24(4-2)21(26)19(15-25-23(24)28)16-29-22(27)20(17-11-7-5-8-12-17)18-13-9-6-10-14-18/h5-15,20H,3-4,16H2,1-2H3,(H,25,28)
InChIKey
UJRUWIKASUFCCY-UHFFFAOYSA-N
Compound name
(5,5-diethyl-4,6-dioxo-1H-pyridin-3-yl)methyl 2,2-diphenylacetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

391.17834 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 392.18562 195.5
[M+Na]+ 414.16756 208.5
[M+NH4]+ 409.21216 202.5
[M+K]+ 430.14150 199.4
[M-H]- 390.17106 199.5
[M+Na-2H]- 412.15301 204.1
[M]+ 391.17779 198.5
[M]- 391.17889 198.5
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.