CID 3006952

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

Structural Information

Molecular Formula
C10H15FN6O3
SMILES
C1=NC2C(N1[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)F)N=C(N=C2N)N
InChI
InChI=1S/C10H15FN6O3/c11-4-6(19)3(1-18)20-9(4)17-2-14-5-7(12)15-10(13)16-8(5)17/h2-6,8-9,18-19H,1H2,(H4,12,13,15,16)/t3-,4-,5?,6-,8?,9-/m1/s1
InChIKey
HHVOPTHVFSHUQE-XAZINFFWSA-N
Compound name
(2R,3R,4R,5R)-5-(2,6-diamino-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

286.11896 Da
Monoisotopic Mass

-2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 287.12624 163.3
[M+Na]+ 309.10818 172.4
[M-H]- 285.11168 163.2
[M+NH4]+ 304.15278 175.1
[M+K]+ 325.08212 169.0
[M+H-H2O]+ 269.11622 154.6
[M+HCOO]- 331.11716 177.2
[M+CH3COO]- 345.13281 172.9
[M+Na-2H]- 307.09363 162.1
[M]+ 286.11841 158.9
[M]- 286.11951 158.9
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.