CID 282806

1-(3-ethyl-4-methyl-5-oxo-2,5-dihydrofuran-2-yl)pyrimidine-2,4(1h,3h)-dione

Structural Information

Molecular Formula
C11H12N2O4
SMILES
CCC1=C(C(=O)OC1N2C=CC(=O)NC2=O)C
InChI
InChI=1S/C11H12N2O4/c1-3-7-6(2)10(15)17-9(7)13-5-4-8(14)12-11(13)16/h4-5,9H,3H2,1-2H3,(H,12,14,16)
InChIKey
NGSBXRZLBQGCPA-UHFFFAOYSA-N
Compound name
1-(3-ethyl-4-methyl-5-oxo-2H-furan-2-yl)pyrimidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

236.07971 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 237.086986 147.7
[M+Na]+ 259.068928 159.3
[M-H]- 235.072434 152.5
[M+NH4]+ 254.113533 163.2
[M+K]+ 275.042868 156.6
[M+H-H2O]+ 219.076970 140.7
[M+HCOO]- 281.077911 168.7
[M+CH3COO]- 295.093561 188.3
[M+Na-2H]- 257.054376 150.5
[M]+ 236.07916142 150.5
[M]- 236.08025858 150.5
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.