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]+ 267.13393 157.8
[M+Na]+ 289.11587 167.5
[M-H]- 265.11937 157.9
[M+NH4]+ 284.16047 171.7
[M+K]+ 305.08981 163.6
[M+H-H2O]+ 249.12391 150.5
[M+HCOO]- 311.12485 177.5
[M+CH3COO]- 325.14050 196.2
[M+Na-2H]- 287.10132 159.5
[M]+ 266.12610 162.1
[M]- 266.12720 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.