CID 509580

1-(benzyloxymethyl)-5-ethyl-6-(1-naphthylmethyl)pyrimidine-2,4-dione

Structural Information

Molecular Formula
C25H24N2O3
SMILES
CCC1=C(N(C(=O)NC1=O)COCC2=CC=CC=C2)CC3=CC=CC4=CC=CC=C43
InChI
InChI=1S/C25H24N2O3/c1-2-21-23(15-20-13-8-12-19-11-6-7-14-22(19)20)27(25(29)26-24(21)28)17-30-16-18-9-4-3-5-10-18/h3-14H,2,15-17H2,1H3,(H,26,28,29)
InChIKey
PNVLBXQEYRZAPP-UHFFFAOYSA-N
Compound name
5-ethyl-6-(naphthalen-1-ylmethyl)-1-(phenylmethoxymethyl)pyrimidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

400.17868 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 401.18596 199.7
[M+Na]+ 423.16790 208.0
[M-H]- 399.17140 206.1
[M+NH4]+ 418.21250 207.7
[M+K]+ 439.14184 199.9
[M+H-H2O]+ 383.17594 187.4
[M+HCOO]- 445.17688 217.4
[M+CH3COO]- 459.19253 208.2
[M+Na-2H]- 421.15335 203.0
[M]+ 400.17813 201.9
[M]- 400.17923 201.9
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.