CID 466433

Schembl5974629

Structural Information

Molecular Formula
C10H11FN4O3
SMILES
C1=C2C(=NC=N1)N(C=N2)[C@@H]3[C@@H]([C@H]([C@@H](O3)CO)O)F
InChI
InChI=1S/C10H11FN4O3/c11-7-8(17)6(2-16)18-10(7)15-4-14-5-1-12-3-13-9(5)15/h1,3-4,6-8,10,16-17H,2H2/t6-,7+,8-,10-/m0/s1
InChIKey
HLBLWLNFMONEHG-ODHVRURNSA-N
Compound name
(2S,3S,4R,5S)-4-fluoro-2-(hydroxymethyl)-5-purin-9-yloxolan-3-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

1
Patents

254.08151 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 255.08879 152.1
[M+Na]+ 277.07073 163.2
[M-H]- 253.07423 152.7
[M+NH4]+ 272.11533 166.0
[M+K]+ 293.04467 160.0
[M+H-H2O]+ 237.07877 143.4
[M+HCOO]- 299.07971 168.0
[M+CH3COO]- 313.09536 163.7
[M+Na-2H]- 275.05618 154.4
[M]+ 254.08096 152.7
[M]- 254.08206 152.7
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