CID 494763

Nsc630971

Structural Information

Molecular Formula
C11H12N2O5
SMILES
C1[C@@H]([C@H](O[C@H]1N2C=C3C=COC3=NC2=O)CO)O
InChI
InChI=1S/C11H12N2O5/c14-5-8-7(15)3-9(18-8)13-4-6-1-2-17-10(6)12-11(13)16/h1-2,4,7-9,14-15H,3,5H2/t7-,8+,9+/m0/s1
InChIKey
NPBLHAAOWBLIFR-DJLDLDEBSA-N
Compound name
3-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]furo[2,3-d]pyrimidin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

252.07462 Da
Monoisotopic Mass

-0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 253.08190 149.8
[M+Na]+ 275.06384 160.5
[M-H]- 251.06734 155.0
[M+NH4]+ 270.10844 165.2
[M+K]+ 291.03778 159.4
[M+H-H2O]+ 235.07188 144.0
[M+HCOO]- 297.07282 168.7
[M+CH3COO]- 311.08847 163.0
[M+Na-2H]- 273.04929 153.7
[M]+ 252.07407 153.6
[M]- 252.07517 153.6
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.