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]+ 392.185616 195.5
[M+Na]+ 414.167558 200.1
[M-H]- 390.171064 201.7
[M+NH4]+ 409.212163 205.8
[M+K]+ 430.141498 195.1
[M+H-H2O]+ 374.175600 185.4
[M+HCOO]- 436.176541 211.4
[M+CH3COO]- 450.192191 218.7
[M+Na-2H]- 412.153006 195.1
[M]+ 391.17779142 194.9
[M]- 391.17888858 194.9
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.