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]+ 269.149576 160.4
[M+Na]+ 291.131518 169.3
[M-H]- 267.135024 159.1
[M+NH4]+ 286.176123 173.6
[M+K]+ 307.105458 165.2
[M+H-H2O]+ 251.139560 153.2
[M+HCOO]- 313.140501 178.3
[M+CH3COO]- 327.156151 194.6
[M+Na-2H]- 289.116966 161.5
[M]+ 268.14175142 163.5
[M]- 268.14284858 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.