CID 11975804

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

Structural Information

Molecular Formula
C15H18N2O3
SMILES
CCOCN1C(=C(C(=O)NC1=O)CC2=CC=CC=C2)C
InChI
InChI=1S/C15H18N2O3/c1-3-20-10-17-11(2)13(14(18)16-15(17)19)9-12-7-5-4-6-8-12/h4-8H,3,9-10H2,1-2H3,(H,16,18,19)
InChIKey
QDWYVZURZSSLAK-UHFFFAOYSA-N
Compound name
5-benzyl-1-(ethoxymethyl)-6-methylpyrimidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

274.13174 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 275.13902 162.0
[M+Na]+ 297.12096 171.8
[M-H]- 273.12446 165.3
[M+NH4]+ 292.16556 175.3
[M+K]+ 313.09490 166.9
[M+H-H2O]+ 257.12900 153.1
[M+HCOO]- 319.12994 182.8
[M+CH3COO]- 333.14559 197.3
[M+Na-2H]- 295.10641 166.2
[M]+ 274.13119 165.0
[M]- 274.13229 165.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.