CID 16075365

(1s,2r,3s,4r,5s)-2-(6-aminopurin-9-yl)-4-fluoro-5-(hydroxymethyl)cyclopentane-1,3-diol

Structural Information

Molecular Formula
C11H14FN5O3
SMILES
C1=NC(=C2C(=N1)N(C=N2)[C@@H]3[C@H]([C@@H]([C@H]([C@H]3O)F)CO)O)N
InChI
InChI=1S/C11H14FN5O3/c12-5-4(1-18)8(19)7(9(5)20)17-3-16-6-10(13)14-2-15-11(6)17/h2-5,7-9,18-20H,1H2,(H2,13,14,15)/t4-,5-,7-,8+,9-/m1/s1
InChIKey
VCTKMSFTWMTUFD-WPRMSWRKSA-N
Compound name
(1S,2R,3S,4R,5S)-2-(6-aminopurin-9-yl)-4-fluoro-5-(hydroxymethyl)cyclopentane-1,3-diol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

283.10806 Da
Monoisotopic Mass

-1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 284.11534 161.1
[M+Na]+ 306.09728 171.9
[M-H]- 282.10078 160.2
[M+NH4]+ 301.14188 174.5
[M+K]+ 322.07122 166.8
[M+H-H2O]+ 266.10532 152.8
[M+HCOO]- 328.10626 176.6
[M+CH3COO]- 342.12191 171.4
[M+Na-2H]- 304.08273 160.8
[M]+ 283.10751 159.0
[M]- 283.10861 159.0
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.