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]+ 283.16524 164.5
[M+Na]+ 305.14718 172.7
[M-H]- 281.15068 163.2
[M+NH4]+ 300.19178 177.1
[M+K]+ 321.12112 169.0
[M+H-H2O]+ 265.15522 157.3
[M+HCOO]- 327.15616 181.2
[M+CH3COO]- 341.17181 198.6
[M+Na-2H]- 303.13263 164.0
[M]+ 282.15741 167.4
[M]- 282.15851 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

No literature data available for this compound.

Patent stripe

No patent data available for this compound.