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]+ 275.08738 156.3
[M+Na]+ 297.06932 164.1
[M-H]- 273.07282 155.5
[M+NH4]+ 292.11392 166.9
[M+K]+ 313.04326 161.7
[M+H-H2O]+ 257.07736 149.7
[M+HCOO]- 319.07830 169.3
[M+CH3COO]- 333.09395 185.9
[M+Na-2H]- 295.05477 156.0
[M]+ 274.07955 154.5
[M]- 274.08065 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