CID 135435172

80049-87-2

Structural Information

Molecular Formula
C10H11FN4O4
SMILES
C1=NC2=C(C(=O)N1)N=CN2[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)F
InChI
InChI=1S/C10H11FN4O4/c11-5-7(17)4(1-16)19-10(5)15-3-14-6-8(15)12-2-13-9(6)18/h2-5,7,10,16-17H,1H2,(H,12,13,18)/t4-,5-,7-,10-/m1/s1
InChIKey
NRVOTDBYJXFINS-QYYRPYCUSA-N
Compound name
9-[(2R,3R,4R,5R)-3-fluoro-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-1H-purin-6-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

99
Patents

270.07645 Da
Monoisotopic Mass

-0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 271.08373 155.6
[M+Na]+ 293.06567 167.1
[M-H]- 269.06917 155.3
[M+NH4]+ 288.11027 168.3
[M+K]+ 309.03961 163.2
[M+H-H2O]+ 253.07371 147.4
[M+HCOO]- 315.07465 170.3
[M+CH3COO]- 329.09030 166.6
[M+Na-2H]- 291.05112 156.8
[M]+ 270.07590 155.5
[M]- 270.07700 155.5
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.