CID 165413674

(2r,3r,5r)-5-[6-(3,3-difluoropyrrolidin-1-yl)purin-9-yl]-2-(hydroxymethyl)tetrahydrofuran-3-ol

Structural Information

Molecular Formula
C14H17F2N5O3
SMILES
C1CN(CC1(F)F)C2=NC=NC3=C2N=CN3[C@H]4C[C@H]([C@H](O4)CO)O
InChI
InChI=1S/C14H17F2N5O3/c15-14(16)1-2-20(5-14)12-11-13(18-6-17-12)21(7-19-11)10-3-8(23)9(4-22)24-10/h6-10,22-23H,1-5H2/t8-,9-,10-/m1/s1
InChIKey
QHJGLLXQNWPGBO-OPRDCNLKSA-N
Compound name
(2R,3R,5R)-5-[6-(3,3-difluoropyrrolidin-1-yl)purin-9-yl]-2-(hydroxymethyl)oxolan-3-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

341.12994 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 342.13722 171.5
[M+Na]+ 364.11916 181.6
[M-H]- 340.12266 173.2
[M+NH4]+ 359.16376 184.0
[M+K]+ 380.09310 177.8
[M+H-H2O]+ 324.12720 161.6
[M+HCOO]- 386.12814 183.2
[M+CH3COO]- 400.14379 181.0
[M+Na-2H]- 362.10461 168.6
[M]+ 341.12939 169.7
[M]- 341.13049 169.7
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.