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 200.1
[M-H]- 390.17106 201.7
[M+NH4]+ 409.21216 205.8
[M+K]+ 430.14150 195.1
[M+H-H2O]+ 374.17560 185.4
[M+HCOO]- 436.17654 211.4
[M+CH3COO]- 450.19219 218.7
[M+Na-2H]- 412.15301 195.1
[M]+ 391.17779 194.9
[M]- 391.17889 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.