CID 3006940

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

Structural Information

Molecular Formula
C10H13F2N5O3
SMILES
C1=NC2C(N1[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)F)N=C(N=C2N)F
InChI
InChI=1S/C10H13F2N5O3/c11-4-6(19)3(1-18)20-9(4)17-2-14-5-7(13)15-10(12)16-8(5)17/h2-6,8-9,18-19H,1H2,(H2,13,15,16)/t3-,4-,5?,6-,8?,9-/m1/s1
InChIKey
AWIFCMIIIHRNPG-XAZINFFWSA-N
Compound name
(2R,3R,4R,5R)-5-(6-amino-2-fluoro-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

289.09863 Da
Monoisotopic Mass

-1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 290.10591 162.6
[M+Na]+ 312.08785 172.6
[M-H]- 288.09135 161.5
[M+NH4]+ 307.13245 174.8
[M+K]+ 328.06179 169.0
[M+H-H2O]+ 272.09589 153.3
[M+HCOO]- 334.09683 175.0
[M+CH3COO]- 348.11248 172.3
[M+Na-2H]- 310.07330 160.9
[M]+ 289.09808 158.7
[M]- 289.09918 158.7
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.