CID 135564639

F-arag f-18

Structural Information

Molecular Formula
C10H12FN5O4
SMILES
C1=NC2=C(N1[C@H]3[C@H]([C@@H]([C@H](O3)CO)O)[18F])N=C(NC2=O)N
InChI
InChI=1S/C10H12FN5O4/c11-4-6(18)3(1-17)20-9(4)16-2-13-5-7(16)14-10(12)15-8(5)19/h2-4,6,9,17-18H,1H2,(H3,12,14,15,19)/t3-,4+,6-,9-/m1/s1/i11-1
InChIKey
UXUZARPLRQRNNX-YXAALHNKSA-N
Compound name
2-amino-9-[(2R,3S,4R,5R)-3-(18F)fluoranyl-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-1H-purin-6-one
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

6
References

454
Patents

284.08987 Da
Monoisotopic Mass

-0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 285.09715 161.3
[M+Na]+ 307.07909 170.4
[M+NH4]+ 302.12369 164.5
[M+K]+ 323.05303 172.5
[M-H]- 283.08259 159.8
[M+Na-2H]- 305.06454 161.5
[M]+ 284.08932 161.5
[M]- 284.09042 161.5
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

patents stripe