CID 15958718

Gs-9148

Structural Information

Molecular Formula
C10H11FN5O5P
SMILES
C1=C([C@@H](O[C@@H]1OCP(=O)(O)O)N2C=NC3=C(N=CN=C32)N)F
InChI
InChI=1S/C10H11FN5O5P/c11-5-1-6(20-4-22(17,18)19)21-10(5)16-3-15-7-8(12)13-2-14-9(7)16/h1-3,6,10H,4H2,(H2,12,13,14)(H2,17,18,19)/t6-,10+/m0/s1
InChIKey
MPSGQQOHTJUJKB-QUBYGPBYSA-N
Compound name
[(2R,5R)-5-(6-aminopurin-9-yl)-4-fluoro-2,5-dihydrofuran-2-yl]oxymethylphosphonic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

11
References

206
Patents

331.0482 Da
Monoisotopic Mass

-1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 332.05548 168.3
[M+Na]+ 354.03742 177.6
[M-H]- 330.04092 167.9
[M+NH4]+ 349.08202 178.5
[M+K]+ 370.01136 176.1
[M+H-H2O]+ 314.04546 157.3
[M+HCOO]- 376.04640 189.4
[M+CH3COO]- 390.06205 203.8
[M+Na-2H]- 352.02287 169.2
[M]+ 331.04765 170.2
[M]- 331.04875 170.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe