CID 509572

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

Structural Information

Molecular Formula
C18H18N2O3
SMILES
CC1=C(N(C(=O)NC1=O)COC)CC2=CC=CC3=CC=CC=C32
InChI
InChI=1S/C18H18N2O3/c1-12-16(20(11-23-2)18(22)19-17(12)21)10-14-8-5-7-13-6-3-4-9-15(13)14/h3-9H,10-11H2,1-2H3,(H,19,21,22)
InChIKey
PPIRESMKFGCJDV-UHFFFAOYSA-N
Compound name
1-(methoxymethyl)-5-methyl-6-(naphthalen-1-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]+ 311.13902 172.5
[M+Na]+ 333.12096 183.1
[M-H]- 309.12446 176.8
[M+NH4]+ 328.16556 185.2
[M+K]+ 349.09490 176.9
[M+H-H2O]+ 293.12900 162.9
[M+HCOO]- 355.12994 191.8
[M+CH3COO]- 369.14559 205.4
[M+Na-2H]- 331.10641 177.4
[M]+ 310.13119 175.5
[M]- 310.13229 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.