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]+ 257.113206 154.9
[M+Na]+ 279.095148 164.0
[M-H]- 255.098654 156.6
[M+NH4]+ 274.139753 168.1
[M+K]+ 295.069088 161.0
[M+H-H2O]+ 239.103190 148.1
[M+HCOO]- 301.104131 171.3
[M+CH3COO]- 315.119781 187.1
[M+Na-2H]- 277.080596 155.9
[M]+ 256.10538142 154.7
[M]- 256.10647858 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.