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]+ 240.09788 149.3
[M+Na]+ 262.07982 158.1
[M-H]- 238.08332 154.6
[M+NH4]+ 257.12442 165.1
[M+K]+ 278.05376 157.3
[M+H-H2O]+ 222.08786 143.0
[M+HCOO]- 284.08880 167.3
[M+CH3COO]- 298.10445 161.7
[M+Na-2H]- 260.06527 151.7
[M]+ 239.09005 148.6
[M]- 239.09115 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.