CID 452511

Dtxsid70927078

Structural Information

Molecular Formula
C13H16N2O5
SMILES
CC1=CN(C(=O)NC1=O)[C@H]2CC=C(O2)C(CC(=O)C)O
InChI
InChI=1S/C13H16N2O5/c1-7-6-15(13(19)14-12(7)18)11-4-3-10(20-11)9(17)5-8(2)16/h3,6,9,11,17H,4-5H2,1-2H3,(H,14,18,19)/t9?,11-/m1/s1
InChIKey
RGAOIVLKDSEDDL-HCCKASOXSA-N
Compound name
1-[(2R)-5-(1-hydroxy-3-oxobutyl)-2,3-dihydrofuran-2-yl]-5-methylpyrimidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

280.10593 Da
Monoisotopic Mass

-0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 281.11321 160.3
[M+Na]+ 303.09515 168.8
[M-H]- 279.09865 163.3
[M+NH4]+ 298.13975 172.7
[M+K]+ 319.06909 166.6
[M+H-H2O]+ 263.10319 153.0
[M+HCOO]- 325.10413 177.3
[M+CH3COO]- 339.11978 194.8
[M+Na-2H]- 301.08060 160.1
[M]+ 280.10538 161.7
[M]- 280.10648 161.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.