CID 71716335

Fmca

Structural Information

Molecular Formula
C12H14FN5O2
SMILES
C=C1[C@@H]([C@H]([C@H]([C@@H]1N2C=NC3=C(N=CN=C32)N)F)O)CO
InChI
InChI=1S/C12H14FN5O2/c1-5-6(2-19)10(20)7(13)9(5)18-4-17-8-11(14)15-3-16-12(8)18/h3-4,6-7,9-10,19-20H,1-2H2,(H2,14,15,16)/t6-,7-,9+,10+/m0/s1
InChIKey
QSIOZNXDXNWPNX-AKEJEFCPSA-N
Compound name
(1R,2S,3R,5R)-3-(6-aminopurin-9-yl)-2-fluoro-5-(hydroxymethyl)-4-methylidenecyclopentan-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

1124
Patents

279.11316 Da
Monoisotopic Mass

-0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 280.12044 162.5
[M+Na]+ 302.10238 173.9
[M-H]- 278.10588 162.7
[M+NH4]+ 297.14698 176.7
[M+K]+ 318.07632 167.9
[M+H-H2O]+ 262.11042 153.8
[M+HCOO]- 324.11136 179.1
[M+CH3COO]- 338.12701 173.2
[M+Na-2H]- 300.08783 161.8
[M]+ 279.11261 160.4
[M]- 279.11371 160.4
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