CID 472369

Chembl607968

Structural Information

Molecular Formula
C10H14N2O5
SMILES
C1[C@H]([C@@H]([C@H](O1)CO)CO)N2C=CC(=O)NC2=O
InChI
InChI=1S/C10H14N2O5/c13-3-6-7(5-17-8(6)4-14)12-2-1-9(15)11-10(12)16/h1-2,6-8,13-14H,3-5H2,(H,11,15,16)/t6-,7+,8+/m0/s1
InChIKey
ASUZYLVDZUYEPF-XLPZGREQSA-N
Compound name
1-[(3S,4R,5S)-4,5-bis(hydroxymethyl)oxolan-3-yl]pyrimidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

242.09027 Da
Monoisotopic Mass

-2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 243.09755 150.2
[M+Na]+ 265.07949 158.8
[M-H]- 241.08299 151.6
[M+NH4]+ 260.12409 163.6
[M+K]+ 281.05343 156.1
[M+H-H2O]+ 225.08753 143.2
[M+HCOO]- 287.08847 167.0
[M+CH3COO]- 301.10412 182.8
[M+Na-2H]- 263.06494 152.4
[M]+ 242.08972 149.2
[M]- 242.09082 149.2
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.