CID 475502

1-(3',6'-anhydro-2'-deoxy-.beta.-d-glucofuranosyl)-cytosine

Structural Information

Molecular Formula
C10H13N3O4
SMILES
C1[C@@H]2[C@@H]([C@@H](CO2)O)O[C@H]1N3C=CC(=NC3=O)N
InChI
InChI=1S/C10H13N3O4/c11-7-1-2-13(10(15)12-7)8-3-6-9(17-8)5(14)4-16-6/h1-2,5-6,8-9,14H,3-4H2,(H2,11,12,15)/t5-,6-,8-,9-/m1/s1
InChIKey
RWRWIIFOVNYDNO-SQEXRHODSA-N
Compound name
1-[(3R,3aR,5R,6aR)-3-hydroxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-5-yl]-4-aminopyrimidin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

239.0906 Da
Monoisotopic Mass

-1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 240.097876 149.3
[M+Na]+ 262.079818 158.1
[M-H]- 238.083324 154.6
[M+NH4]+ 257.124423 165.1
[M+K]+ 278.053758 157.3
[M+H-H2O]+ 222.087860 143.0
[M+HCOO]- 284.088801 167.3
[M+CH3COO]- 298.104451 161.7
[M+Na-2H]- 260.065266 151.7
[M]+ 239.09005142 148.6
[M]- 239.09114858 148.6
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.