CID 44438818

Chembl241680

Structural Information

Molecular Formula
C10H14N2O7
SMILES
C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H](C(O2)(CO)CO)O)O
InChI
InChI=1S/C10H14N2O7/c13-3-10(4-14)7(17)6(16)8(19-10)12-2-1-5(15)11-9(12)18/h1-2,6-8,13-14,16-17H,3-4H2,(H,11,15,18)/t6-,7+,8-/m1/s1
InChIKey
NJCVJDCNGVIQOP-GJMOJQLCSA-N
Compound name
1-[(2R,3R,4S)-3,4-dihydroxy-5,5-bis(hydroxymethyl)oxolan-2-yl]pyrimidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

2
Patents

274.0801 Da
Monoisotopic Mass

-2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 275.08738 155.1
[M+Na]+ 297.06932 164.1
[M-H]- 273.07282 154.5
[M+NH4]+ 292.11392 167.8
[M+K]+ 313.04326 161.5
[M+H-H2O]+ 257.07736 149.4
[M+HCOO]- 319.07830 169.1
[M+CH3COO]- 333.09395 184.4
[M+Na-2H]- 295.05477 157.5
[M]+ 274.07955 154.3
[M]- 274.08065 154.3
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

No patent data available for this compound.