CID 492029

Schembl1469822

Structural Information

Molecular Formula
C11H16N2O5
SMILES
CC1=CN(C(=O)NC1=O)[C@@H]2C[C@@H]([C@H](OC2)CO)O
InChI
InChI=1S/C11H16N2O5/c1-6-3-13(11(17)12-10(6)16)7-2-8(15)9(4-14)18-5-7/h3,7-9,14-15H,2,4-5H2,1H3,(H,12,16,17)/t7-,8+,9-/m1/s1
InChIKey
GPMFEPCZMZRMRA-HRDYMLBCSA-N
Compound name
1-[(3R,5S,6R)-5-hydroxy-6-(hydroxymethyl)oxan-3-yl]-5-methylpyrimidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

17
Patents

256.10593 Da
Monoisotopic Mass

-1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 257.11321 156.4
[M+Na]+ 279.09515 164.8
[M-H]- 255.09865 157.7
[M+NH4]+ 274.13975 167.6
[M+K]+ 295.06909 161.9
[M+H-H2O]+ 239.10319 148.7
[M+HCOO]- 301.10413 170.6
[M+CH3COO]- 315.11978 187.9
[M+Na-2H]- 277.08060 158.8
[M]+ 256.10538 154.2
[M]- 256.10648 154.2
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

patents stripe