CID 513451

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

Structural Information

Molecular Formula
C13H18N2O4
SMILES
CCC1=C(N(C(=O)NC1=O)COCC)C(=O)C=CC
InChI
InChI=1S/C13H18N2O4/c1-4-7-10(16)11-9(5-2)12(17)14-13(18)15(11)8-19-6-3/h4,7H,5-6,8H2,1-3H3,(H,14,17,18)
InChIKey
MTBAKJWTRQWASV-UHFFFAOYSA-N
Compound name
6-but-2-enoyl-1-(ethoxymethyl)-5-ethylpyrimidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

266.12665 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 267.133926 157.8
[M+Na]+ 289.115868 167.5
[M-H]- 265.119374 157.9
[M+NH4]+ 284.160473 171.7
[M+K]+ 305.089808 163.6
[M+H-H2O]+ 249.123910 150.5
[M+HCOO]- 311.124851 177.5
[M+CH3COO]- 325.140501 196.2
[M+Na-2H]- 287.101316 159.5
[M]+ 266.12610142 162.1
[M]- 266.12719858 162.1
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.