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]+ 237.08699 147.7
[M+Na]+ 259.06893 159.3
[M-H]- 235.07243 152.5
[M+NH4]+ 254.11353 163.2
[M+K]+ 275.04287 156.6
[M+H-H2O]+ 219.07697 140.7
[M+HCOO]- 281.07791 168.7
[M+CH3COO]- 295.09356 188.3
[M+Na-2H]- 257.05438 150.5
[M]+ 236.07916 150.5
[M]- 236.08026 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.