CID 452091

125391-75-5

Structural Information

Molecular Formula
C10H13FN6O3
SMILES
C1=NC2=C(N=C(N=C2N1[C@H]3[C@@H]([C@@H]([C@H](O3)CO)F)O)N)N
InChI
InChI=1S/C10H13FN6O3/c11-4-3(1-18)20-9(6(4)19)17-2-14-5-7(12)15-10(13)16-8(5)17/h2-4,6,9,18-19H,1H2,(H4,12,13,15,16)/t3-,4-,6-,9-/m1/s1
InChIKey
BBWXIJICDDYYJZ-DXTOWSMRSA-N
Compound name
(2R,3S,4S,5R)-2-(2,6-diaminopurin-9-yl)-4-fluoro-5-(hydroxymethyl)oxolan-3-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

284.1033 Da
Monoisotopic Mass

-0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 285.11058 160.9
[M+Na]+ 307.09252 171.9
[M-H]- 283.09602 161.6
[M+NH4]+ 302.13712 173.0
[M+K]+ 323.06646 168.1
[M+H-H2O]+ 267.10056 152.2
[M+HCOO]- 329.10150 177.6
[M+CH3COO]- 343.11715 171.5
[M+Na-2H]- 305.07797 161.5
[M]+ 284.10275 159.3
[M]- 284.10385 159.3
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.