CID 509574

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

Structural Information

Molecular Formula
C20H22N2O3
SMILES
CCCC1=C(N(C(=O)NC1=O)COC)CC2=CC=CC3=CC=CC=C32
InChI
InChI=1S/C20H22N2O3/c1-3-7-17-18(22(13-25-2)20(24)21-19(17)23)12-15-10-6-9-14-8-4-5-11-16(14)15/h4-6,8-11H,3,7,12-13H2,1-2H3,(H,21,23,24)
InChIKey
URPNSUUJQKWUIU-UHFFFAOYSA-N
Compound name
1-(methoxymethyl)-6-(naphthalen-1-ylmethyl)-5-propylpyrimidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

338.16306 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 339.17034 181.6
[M+Na]+ 361.15228 191.2
[M-H]- 337.15578 185.5
[M+NH4]+ 356.19688 193.1
[M+K]+ 377.12622 184.6
[M+H-H2O]+ 321.16032 171.5
[M+HCOO]- 383.16126 200.1
[M+CH3COO]- 397.17691 211.3
[M+Na-2H]- 359.13773 185.3
[M]+ 338.16251 185.2
[M]- 338.16361 185.2
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.