CID 165414037

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

Structural Information

Molecular Formula
C14H18FN5O3
SMILES
C1CN(C[C@@H]1F)C2=NC=NC3=C2N=CN3[C@H]4C[C@H]([C@H](O4)CO)O
InChI
InChI=1S/C14H18FN5O3/c15-8-1-2-19(4-8)13-12-14(17-6-16-13)20(7-18-12)11-3-9(22)10(5-21)23-11/h6-11,21-22H,1-5H2/t8-,9-,10-,11-/m1/s1
InChIKey
ZCAWJMWOKOSPBX-GWOFURMSSA-N
Compound name
(2R,3R,5R)-5-[6-[(3R)-3-fluoropyrrolidin-1-yl]purin-9-yl]-2-(hydroxymethyl)oxolan-3-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

323.13937 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 324.14665 171.0
[M+Na]+ 346.12859 179.9
[M-H]- 322.13209 173.7
[M+NH4]+ 341.17319 182.2
[M+K]+ 362.10253 176.5
[M+H-H2O]+ 306.13663 161.6
[M+HCOO]- 368.13757 183.6
[M+CH3COO]- 382.15322 180.5
[M+Na-2H]- 344.11404 167.2
[M]+ 323.13882 169.7
[M]- 323.13992 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.