CID 16074516

2,4(1h,3h)-pyrimidinedione, 5-ethyl-1-[2-(4-methoxyphenyl)-2-oxoethyl]-6-(1-naphthalenylcarbonyl)-

Structural Information

Molecular Formula
C26H22N2O5
SMILES
CCC1=C(N(C(=O)NC1=O)CC(=O)C2=CC=C(C=C2)OC)C(=O)C3=CC=CC4=CC=CC=C43
InChI
InChI=1S/C26H22N2O5/c1-3-19-23(24(30)21-10-6-8-16-7-4-5-9-20(16)21)28(26(32)27-25(19)31)15-22(29)17-11-13-18(33-2)14-12-17/h4-14H,3,15H2,1-2H3,(H,27,31,32)
InChIKey
PEFXJEOSUOUWCN-UHFFFAOYSA-N
Compound name
5-ethyl-1-[2-(4-methoxyphenyl)-2-oxoethyl]-6-(naphthalene-1-carbonyl)pyrimidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

442.15286 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 443.16014 206.5
[M+Na]+ 465.14208 214.5
[M-H]- 441.14558 213.4
[M+NH4]+ 460.18668 212.4
[M+K]+ 481.11602 208.1
[M+H-H2O]+ 425.15012 194.4
[M+HCOO]- 487.15106 222.5
[M+CH3COO]- 501.16671 231.4
[M+Na-2H]- 463.12753 206.9
[M]+ 442.15231 209.8
[M]- 442.15341 209.8
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.