CID 3006947

(2r,3r,4r,5r)-5-(2-amino-6-propoxy-4,5-dihydropurin-9-yl)-4-fluoro-2-(hydroxymethyl)tetrahydrofuran-3-ol

Structural Information

Molecular Formula
C13H20FN5O4
SMILES
CCCOC1=NC(=NC2C1N=CN2[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)F)N
InChI
InChI=1S/C13H20FN5O4/c1-2-3-22-11-8-10(17-13(15)18-11)19(5-16-8)12-7(14)9(21)6(4-20)23-12/h5-10,12,20-21H,2-4H2,1H3,(H2,15,17)/t6-,7-,8?,9-,10?,12-/m1/s1
InChIKey
LIPSJEOZBMKGQS-SNPKVZSRSA-N
Compound name
(2R,3R,4R,5R)-5-(2-amino-6-propoxy-4,5-dihydropurin-9-yl)-4-fluoro-2-(hydroxymethyl)oxolan-3-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

329.14993 Da
Monoisotopic Mass

-0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 330.15721 175.8
[M+Na]+ 352.13915 184.1
[M-H]- 328.14265 175.6
[M+NH4]+ 347.18375 186.4
[M+K]+ 368.11309 181.1
[M+H-H2O]+ 312.14719 166.9
[M+HCOO]- 374.14813 188.4
[M+CH3COO]- 388.16378 206.7
[M+Na-2H]- 350.12460 173.3
[M]+ 329.14938 175.2
[M]- 329.15048 175.2
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.