CID 6480471

Chembl522781

Structural Information

Molecular Formula
C10H11F2N5O2
SMILES
C1[C@H]([C@@H]([C@@H](C1(F)F)O)O)N2C=NC3=C(N=CN=C32)N
InChI
InChI=1S/C10H11F2N5O2/c11-10(12)1-4(6(18)7(10)19)17-3-16-5-8(13)14-2-15-9(5)17/h2-4,6-7,18-19H,1H2,(H2,13,14,15)/t4-,6+,7+/m1/s1
InChIKey
HIOROQZQDMLGTN-PIYBLCFFSA-N
Compound name
(1S,2S,5R)-5-(6-aminopurin-9-yl)-3,3-difluorocyclopentane-1,2-diol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

271.08807 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 272.09535 153.8
[M+Na]+ 294.07729 166.0
[M-H]- 270.08079 152.9
[M+NH4]+ 289.12189 170.2
[M+K]+ 310.05123 160.9
[M+H-H2O]+ 254.08533 144.8
[M+HCOO]- 316.08627 170.1
[M+CH3COO]- 330.10192 165.0
[M+Na-2H]- 292.06274 155.8
[M]+ 271.08752 150.7
[M]- 271.08862 150.7
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

No patent data available for this compound.