CID 513449

1-(ethoxymethyl)-5-ethyl-6-(1-hydroxy-3-methyl-but-2-enyl)pyrimidine-2,4-dione

Structural Information

Molecular Formula
C14H22N2O4
SMILES
CCC1=C(N(C(=O)NC1=O)COCC)C(C=C(C)C)O
InChI
InChI=1S/C14H22N2O4/c1-5-10-12(11(17)7-9(3)4)16(8-20-6-2)14(19)15-13(10)18/h7,11,17H,5-6,8H2,1-4H3,(H,15,18,19)
InChIKey
LRQNSOQMXVCHGK-UHFFFAOYSA-N
Compound name
1-(ethoxymethyl)-5-ethyl-6-(1-hydroxy-3-methylbut-2-enyl)pyrimidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

282.15796 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 283.165236 164.5
[M+Na]+ 305.147178 172.7
[M-H]- 281.150684 163.2
[M+NH4]+ 300.191783 177.1
[M+K]+ 321.121118 169.0
[M+H-H2O]+ 265.155220 157.3
[M+HCOO]- 327.156161 181.2
[M+CH3COO]- 341.171811 198.6
[M+Na-2H]- 303.132626 164.0
[M]+ 282.15741142 167.4
[M]- 282.15850858 167.4
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.