CID 513452

1-(ethoxymethyl)-5-ethyl-6-(3-methylbut-2-enoyl)pyrimidine-2,4-dione

Structural Information

Molecular Formula
C14H20N2O4
SMILES
CCC1=C(N(C(=O)NC1=O)COCC)C(=O)C=C(C)C
InChI
InChI=1S/C14H20N2O4/c1-5-10-12(11(17)7-9(3)4)16(8-20-6-2)14(19)15-13(10)18/h7H,5-6,8H2,1-4H3,(H,15,18,19)
InChIKey
QRHRMKKWNAYBEQ-UHFFFAOYSA-N
Compound name
1-(ethoxymethyl)-5-ethyl-6-(3-methylbut-2-enoyl)pyrimidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

280.1423 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 281.14958 161.8
[M+Na]+ 303.13152 170.8
[M-H]- 279.13502 161.9
[M+NH4]+ 298.17612 175.1
[M+K]+ 319.10546 167.3
[M+H-H2O]+ 263.13956 154.5
[M+HCOO]- 325.14050 180.2
[M+CH3COO]- 339.15615 200.2
[M+Na-2H]- 301.11697 161.9
[M]+ 280.14175 165.9
[M]- 280.14285 165.9
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.