CID 6483432

4'-c-cyano-2'-deoxy-2-fluoroadenosine

Structural Information

Molecular Formula
C11H11FN6O3
SMILES
C1[C@@H]([C@](O[C@H]1N2C=NC3=C(N=C(N=C32)F)N)(CO)C#N)O
InChI
InChI=1S/C11H11FN6O3/c12-10-16-8(14)7-9(17-10)18(4-15-7)6-1-5(20)11(2-13,3-19)21-6/h4-6,19-20H,1,3H2,(H2,14,16,17)/t5-,6+,11+/m0/s1
InChIKey
CEWGLEQAOGZESJ-WGDKSQQYSA-N
Compound name
(2R,3S,5R)-5-(6-amino-2-fluoropurin-9-yl)-3-hydroxy-2-(hydroxymethyl)oxolane-2-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

17
Patents

294.08768 Da
Monoisotopic Mass

-0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 295.09496 155.8
[M+Na]+ 317.07690 168.1
[M-H]- 293.08040 154.3
[M+NH4]+ 312.12150 167.4
[M+K]+ 333.05084 163.2
[M+H-H2O]+ 277.08494 140.0
[M+HCOO]- 339.08588 168.3
[M+CH3COO]- 353.10153 164.9
[M+Na-2H]- 315.06235 158.0
[M]+ 294.08713 150.2
[M]- 294.08823 150.2
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