CID 15956272

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

Structural Information

Molecular Formula
C11H16N2O5
SMILES
CC1=CN(C(=O)NC1=O)[C@@H]2CC(CO2)(CO)CO
InChI
InChI=1S/C11H16N2O5/c1-7-3-13(10(17)12-9(7)16)8-2-11(4-14,5-15)6-18-8/h3,8,14-15H,2,4-6H2,1H3,(H,12,16,17)/t8-/m0/s1
InChIKey
HLCAGAYOSNTGIF-QMMMGPOBSA-N
Compound name
1-[(2S)-4,4-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

-2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 257.11321 153.2
[M+Na]+ 279.09515 162.4
[M-H]- 255.09865 154.8
[M+NH4]+ 274.13975 168.2
[M+K]+ 295.06909 159.8
[M+H-H2O]+ 239.10319 147.0
[M+HCOO]- 301.10413 169.7
[M+CH3COO]- 315.11978 185.3
[M+Na-2H]- 277.08060 156.4
[M]+ 256.10538 153.1
[M]- 256.10648 153.1
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.