CID 3006934

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

Structural Information

Molecular Formula
C10H13FN4O4
SMILES
C1=NC2C(C(=O)N1)N=CN2[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)F
InChI
InChI=1S/C10H13FN4O4/c11-5-7(17)4(1-16)19-10(5)15-3-14-6-8(15)12-2-13-9(6)18/h2-8,10,16-17H,1H2,(H,12,13,18)/t4-,5-,6?,7-,8?,10-/m1/s1
InChIKey
BISFNMMQQXAMAR-HMJOIHBISA-N
Compound name
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

272.09207 Da
Monoisotopic Mass

-1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 273.09935 159.9
[M+Na]+ 295.08129 168.4
[M-H]- 271.08479 158.3
[M+NH4]+ 290.12589 172.1
[M+K]+ 311.05523 165.1
[M+H-H2O]+ 255.08933 151.7
[M+HCOO]- 317.09027 170.2
[M+CH3COO]- 331.10592 169.3
[M+Na-2H]- 293.06674 158.3
[M]+ 272.09152 155.6
[M]- 272.09262 155.6
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.