CID 466385

9-(2,3-dideoxy-2,2-difluoro-.alpha.-l-glyceropentofuranosyl)adenine

Structural Information

Molecular Formula
C10H11F2N5O2
SMILES
C1[C@@H](O[C@H](C1(F)F)N2C=NC3=C(N=CN=C32)N)CO
InChI
InChI=1S/C10H11F2N5O2/c11-10(12)1-5(2-18)19-9(10)17-4-16-6-7(13)14-3-15-8(6)17/h3-5,9,18H,1-2H2,(H2,13,14,15)/t5-,9-/m1/s1
InChIKey
BLPIFDWBIBAANX-MLUIRONXSA-N
Compound name
[(2R,5R)-5-(6-aminopurin-9-yl)-4,4-difluorooxolan-2-yl]methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
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 153.3
[M+Na]+ 294.07729 165.2
[M-H]- 270.08079 153.8
[M+NH4]+ 289.12189 168.7
[M+K]+ 310.05123 161.7
[M+H-H2O]+ 254.08533 143.7
[M+HCOO]- 316.08627 170.1
[M+CH3COO]- 330.10192 164.9
[M+Na-2H]- 292.06274 156.6
[M]+ 271.08752 152.1
[M]- 271.08862 152.1
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.