CID 513448

1-(ethoxymethyl)-5-ethyl-6-(1-hydroxybut-2-enyl)pyrimidine-2,4-dione

Structural Information

Molecular Formula
C13H20N2O4
SMILES
CCC1=C(N(C(=O)NC1=O)COCC)C(C=CC)O
InChI
InChI=1S/C13H20N2O4/c1-4-7-10(16)11-9(5-2)12(17)14-13(18)15(11)8-19-6-3/h4,7,10,16H,5-6,8H2,1-3H3,(H,14,17,18)
InChIKey
FNKHZXZOUCCWAF-UHFFFAOYSA-N
Compound name
1-(ethoxymethyl)-5-ethyl-6-(1-hydroxybut-2-enyl)pyrimidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

268.1423 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 269.14958 160.4
[M+Na]+ 291.13152 169.3
[M-H]- 267.13502 159.1
[M+NH4]+ 286.17612 173.6
[M+K]+ 307.10546 165.2
[M+H-H2O]+ 251.13956 153.2
[M+HCOO]- 313.14050 178.3
[M+CH3COO]- 327.15615 194.6
[M+Na-2H]- 289.11697 161.5
[M]+ 268.14175 163.5
[M]- 268.14285 163.5
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.