CID 3006944

2-amino-9-(3-fluoro-4-hydroxy-5-hydroxymethyl-tetrahydro-furan-2-yl)-5,9-dihydro-4h-purin-6-ol

Structural Information

Molecular Formula
C10H14FN5O4
SMILES
C1=NC2C(N1[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)F)N=C(NC2=O)N
InChI
InChI=1S/C10H14FN5O4/c11-4-6(18)3(1-17)20-9(4)16-2-13-5-7(16)14-10(12)15-8(5)19/h2-7,9,17-18H,1H2,(H3,12,14,15,19)/t3-,4-,5?,6-,7?,9-/m1/s1
InChIKey
FBVSNKCDZOONLV-UOONDMJTSA-N
Compound name
2-amino-9-[(2R,3R,4R,5R)-3-fluoro-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-4,5-dihydro-1H-purin-6-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

287.103 Da
Monoisotopic Mass

-2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 288.11028 164.1
[M+Na]+ 310.09222 172.6
[M-H]- 286.09572 162.6
[M+NH4]+ 305.13682 175.4
[M+K]+ 326.06616 168.9
[M+H-H2O]+ 270.10026 155.9
[M+HCOO]- 332.10120 174.9
[M+CH3COO]- 346.11685 173.0
[M+Na-2H]- 308.07767 161.7
[M]+ 287.10245 158.7
[M]- 287.10355 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.