CID 509585

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

Structural Information

Molecular Formula
C18H18N2O3
SMILES
CC1=C(N(C(=O)NC1=O)COC)CC2=CC3=CC=CC=C3C=C2
InChI
InChI=1S/C18H18N2O3/c1-12-16(20(11-23-2)18(22)19-17(12)21)10-13-7-8-14-5-3-4-6-15(14)9-13/h3-9H,10-11H2,1-2H3,(H,19,21,22)
InChIKey
INLRAEQLLTZBRY-UHFFFAOYSA-N
Compound name
1-(methoxymethyl)-5-methyl-6-(naphthalen-2-ylmethyl)pyrimidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

310.13174 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 311.139016 172.5
[M+Na]+ 333.120958 183.1
[M-H]- 309.124464 176.8
[M+NH4]+ 328.165563 185.2
[M+K]+ 349.094898 176.9
[M+H-H2O]+ 293.129000 162.9
[M+HCOO]- 355.129941 191.8
[M+CH3COO]- 369.145591 205.4
[M+Na-2H]- 331.106406 177.4
[M]+ 310.13119142 175.5
[M]- 310.13228858 175.5
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.