CID 6477212

1-[(3s,4s)-3,4-bis(hydroxymethyl)tetrahydrofuran-2-yl]-5-methyl-pyrimidine-2,4-dione

Structural Information

Molecular Formula
C11H16N2O5
SMILES
CC1=CN(C(=O)NC1=O)C2[C@@H]([C@H](CO2)CO)CO
InChI
InChI=1S/C11H16N2O5/c1-6-2-13(11(17)12-9(6)16)10-8(4-15)7(3-14)5-18-10/h2,7-8,10,14-15H,3-5H2,1H3,(H,12,16,17)/t7-,8+,10?/m0/s1
InChIKey
DWBCCAKJINBKLS-VLCSVPMDSA-N
Compound name
1-[(3S,4S)-3,4-bis(hydroxymethyl)oxolan-2-yl]-5-methylpyrimidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

256.10593 Da
Monoisotopic Mass

-1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 257.11321 154.9
[M+Na]+ 279.09515 164.0
[M-H]- 255.09865 156.6
[M+NH4]+ 274.13975 168.1
[M+K]+ 295.06909 161.0
[M+H-H2O]+ 239.10319 148.1
[M+HCOO]- 301.10413 171.3
[M+CH3COO]- 315.11978 187.1
[M+Na-2H]- 277.08060 155.9
[M]+ 256.10538 154.7
[M]- 256.10648 154.7
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.