CID 16752668

[18f]fxa

Structural Information

Molecular Formula
C10H12FN5O3
SMILES
C1=NC(=C2C(=N1)N(C=N2)C3[C@@H]([C@H]([C@H](O3)CO)[18F])O)N
InChI
InChI=1S/C10H12FN5O3/c11-5-4(1-17)19-10(7(5)18)16-3-15-6-8(12)13-2-14-9(6)16/h2-5,7,10,17-18H,1H2,(H2,12,13,14)/t4-,5+,7-,10?/m1/s1/i11-1
InChIKey
QCDAWXDDXYQEJJ-OLKTUBJCSA-N
Compound name
(3S,4R,5R)-2-(6-aminopurin-9-yl)-4-(18F)fluoranyl-5-(hydroxymethyl)oxolan-3-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

268.09494 Da
Monoisotopic Mass

-0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 269.10222 157.4
[M+Na]+ 291.08416 167.2
[M+NH4]+ 286.12876 161.9
[M+K]+ 307.05810 168.4
[M-H]- 267.08766 157.0
[M+Na-2H]- 289.06961 159.1
[M]+ 268.09439 158.1
[M]- 268.09549 158.1
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.