CID 21141166

339094-41-6

Structural Information

Molecular Formula
C10H14N2O7
SMILES
C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@H]([C@H](O2)[C@@H](CO)O)O)O
InChI
InChI=1S/C10H14N2O7/c13-3-4(14)8-6(16)7(17)9(19-8)12-2-1-5(15)11-10(12)18/h1-2,4,6-9,13-14,16-17H,3H2,(H,11,15,18)/t4-,6-,7-,8-,9-/m1/s1
InChIKey
JAENUIKAWXKZRR-GPMKSPRZSA-N
Compound name
1-[(2R,3R,4R,5R)-5-[(1R)-1,2-dihydroxyethyl]-3,4-dihydroxyoxolan-2-yl]pyrimidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

10
Patents

274.0801 Da
Monoisotopic Mass

-2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 275.087376 156.3
[M+Na]+ 297.069318 164.1
[M-H]- 273.072824 155.5
[M+NH4]+ 292.113923 166.9
[M+K]+ 313.043258 161.7
[M+H-H2O]+ 257.077360 149.7
[M+HCOO]- 319.078301 169.3
[M+CH3COO]- 333.093951 185.9
[M+Na-2H]- 295.054766 156.0
[M]+ 274.07955142 154.5
[M]- 274.08064858 154.5
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

patents stripe