CID 11623314

872201-68-8

Structural Information

Molecular Formula
C12H15N3O5
SMILES
C[C@]1([C@@H]([C@H](O[C@H]1C2=COC3=C2N=CN=C3N)CO)O)O
InChI
InChI=1S/C12H15N3O5/c1-12(18)9(17)6(2-16)20-10(12)5-3-19-8-7(5)14-4-15-11(8)13/h3-4,6,9-10,16-18H,2H2,1H3,(H2,13,14,15)/t6-,9-,10+,12-/m1/s1
InChIKey
XTZBWEWBGPBBQG-NUBDZMHLSA-N
Compound name
(2S,3R,4R,5R)-2-(4-aminofuro[3,2-d]pyrimidin-7-yl)-5-(hydroxymethyl)-3-methyloxolane-3,4-diol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

19
Patents

281.10117 Da
Monoisotopic Mass

-1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 282.10845 159.0
[M+Na]+ 304.09039 169.4
[M-H]- 280.09389 162.9
[M+NH4]+ 299.13499 174.2
[M+K]+ 320.06433 167.7
[M+H-H2O]+ 264.09843 153.6
[M+HCOO]- 326.09937 176.2
[M+CH3COO]- 340.11502 171.0
[M+Na-2H]- 302.07584 162.4
[M]+ 281.10062 161.3
[M]- 281.10172 161.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe