CID 480071

[(1s,2s,3r,4r)-4-(6-aminopurin-9-yl)-3-fluoro-2-(hydroxymethyl)cyclopentyl]methanol

Structural Information

Molecular Formula
C12H16FN5O2
SMILES
C1[C@@H]([C@H]([C@H]([C@@H]1N2C=NC3=C(N=CN=C32)N)F)CO)CO
InChI
InChI=1S/C12H16FN5O2/c13-9-7(3-20)6(2-19)1-8(9)18-5-17-10-11(14)15-4-16-12(10)18/h4-9,19-20H,1-3H2,(H2,14,15,16)/t6-,7-,8-,9-/m1/s1
InChIKey
PTEXYYUVWGSMPY-FNCVBFRFSA-N
Compound name
[(1S,2S,3R,4R)-4-(6-aminopurin-9-yl)-3-fluoro-2-(hydroxymethyl)cyclopentyl]methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

281.1288 Da
Monoisotopic Mass

-0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 282.13608 161.8
[M+Na]+ 304.11802 172.0
[M-H]- 280.12152 161.5
[M+NH4]+ 299.16262 175.7
[M+K]+ 320.09196 166.7
[M+H-H2O]+ 264.12606 152.7
[M+HCOO]- 326.12700 178.3
[M+CH3COO]- 340.14265 172.2
[M+Na-2H]- 302.10347 161.9
[M]+ 281.12825 160.0
[M]- 281.12935 160.0
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.