CID 509588

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

Structural Information

Molecular Formula
C19H20N2O3
SMILES
CCOCN1C(=C(C(=O)NC1=O)C)CC2=CC3=CC=CC=C3C=C2
InChI
InChI=1S/C19H20N2O3/c1-3-24-12-21-17(13(2)18(22)20-19(21)23)11-14-8-9-15-6-4-5-7-16(15)10-14/h4-10H,3,11-12H2,1-2H3,(H,20,22,23)
InChIKey
XHXJZPMNFQXBHP-UHFFFAOYSA-N
Compound name
1-(ethoxymethyl)-5-methyl-6-(naphthalen-2-ylmethyl)pyrimidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

324.1474 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 325.15468 177.0
[M+Na]+ 347.13662 187.1
[M-H]- 323.14012 181.2
[M+NH4]+ 342.18122 189.2
[M+K]+ 363.11056 180.8
[M+H-H2O]+ 307.14466 167.2
[M+HCOO]- 369.14560 195.9
[M+CH3COO]- 383.16125 208.3
[M+Na-2H]- 345.12207 181.4
[M]+ 324.14685 180.4
[M]- 324.14795 180.4
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.