CID 512681

Chembl421655

Structural Information

Molecular Formula
C10H10FN5O2
SMILES
C1=C[C@H]([C@H]([C@@H]1N2C=NC3=C(N=C(N=C32)F)N)O)O
InChI
InChI=1S/C10H10FN5O2/c11-10-14-8(12)6-9(15-10)16(3-13-6)4-1-2-5(17)7(4)18/h1-5,7,17-18H,(H2,12,14,15)/t4-,5-,7+/m1/s1
InChIKey
NZABZQYOXORUTJ-XAHCXIQSSA-N
Compound name
(1S,2R,5R)-5-(6-amino-2-fluoropurin-9-yl)cyclopent-3-ene-1,2-diol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

251.08185 Da
Monoisotopic Mass

-0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 252.08913 151.6
[M+Na]+ 274.07107 163.7
[M-H]- 250.07457 152.1
[M+NH4]+ 269.11567 166.8
[M+K]+ 290.04501 158.6
[M+H-H2O]+ 234.07911 142.9
[M+HCOO]- 296.08005 170.2
[M+CH3COO]- 310.09570 163.4
[M+Na-2H]- 272.05652 153.7
[M]+ 251.08130 150.6
[M]- 251.08240 150.6
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

No patent data available for this compound.