CID 3006949

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

Structural Information

Molecular Formula
C10H13ClFN5O3
SMILES
C1=NC2C(N1[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)F)N=C(N=C2Cl)N
InChI
InChI=1S/C10H13ClFN5O3/c11-7-5-8(16-10(13)15-7)17(2-14-5)9-4(12)6(19)3(1-18)20-9/h2-6,8-9,18-19H,1H2,(H2,13,16)/t3-,4-,5?,6-,8?,9-/m1/s1
InChIKey
ULOGBOAGYUABBB-XAZINFFWSA-N
Compound name
(2R,3R,4R,5R)-5-(2-amino-6-chloro-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

305.0691 Da
Monoisotopic Mass

-1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 306.07638 166.8
[M+Na]+ 328.05832 177.2
[M-H]- 304.06182 166.6
[M+NH4]+ 323.10292 179.2
[M+K]+ 344.03226 172.7
[M+H-H2O]+ 288.06636 158.5
[M+HCOO]- 350.06730 175.4
[M+CH3COO]- 364.08295 176.6
[M+Na-2H]- 326.04377 165.0
[M]+ 305.06855 165.6
[M]- 305.06965 165.6
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.