CID 501953

1-[(2r)-7a-(hydroxymethyl)-2,3,3a,5-tetrahydrofuro[3,2-b]pyran-2-yl]-5-methyl-pyrimidine-2,4-dione

Structural Information

Molecular Formula
C13H16N2O5
SMILES
CC1=CN(C(=O)NC1=O)[C@H]2CC3C(O2)(C=CCO3)CO
InChI
InChI=1S/C13H16N2O5/c1-8-6-15(12(18)14-11(8)17)10-5-9-13(7-16,20-10)3-2-4-19-9/h2-3,6,9-10,16H,4-5,7H2,1H3,(H,14,17,18)/t9?,10-,13?/m1/s1
InChIKey
VMUGLNIKQPOQHW-RUETXSTFSA-N
Compound name
1-[(2R)-7a-(hydroxymethyl)-2,3,3a,5-tetrahydrofuro[3,2-b]pyran-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 159.7
[M+Na]+ 303.09515 169.1
[M-H]- 279.09865 163.9
[M+NH4]+ 298.13975 173.9
[M+K]+ 319.06909 167.3
[M+H-H2O]+ 263.10319 152.8
[M+HCOO]- 325.10413 174.4
[M+CH3COO]- 339.11978 171.2
[M+Na-2H]- 301.08060 164.5
[M]+ 280.10538 160.2
[M]- 280.10648 160.2
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.