CID 509575

5-isopropyl-1-(methoxymethyl)-6-(1-naphthylmethyl)pyrimidine-2,4-dione

Structural Information

Molecular Formula
C20H22N2O3
SMILES
CC(C)C1=C(N(C(=O)NC1=O)COC)CC2=CC=CC3=CC=CC=C32
InChI
InChI=1S/C20H22N2O3/c1-13(2)18-17(22(12-25-3)20(24)21-19(18)23)11-15-9-6-8-14-7-4-5-10-16(14)15/h4-10,13H,11-12H2,1-3H3,(H,21,23,24)
InChIKey
NVDDAOGKRBJADL-UHFFFAOYSA-N
Compound name
1-(methoxymethyl)-6-(naphthalen-1-ylmethyl)-5-propan-2-ylpyrimidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

338.16306 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 339.17034 181.2
[M+Na]+ 361.15228 190.5
[M-H]- 337.15578 185.3
[M+NH4]+ 356.19688 192.6
[M+K]+ 377.12622 184.5
[M+H-H2O]+ 321.16032 171.4
[M+HCOO]- 383.16126 198.8
[M+CH3COO]- 397.17691 212.2
[M+Na-2H]- 359.13773 183.9
[M]+ 338.16251 184.3
[M]- 338.16361 184.3
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.