CID 11358563

Chembl383295

Structural Information

Molecular Formula
C11H12ClFN4O3
SMILES
C[C@]1([C@@H]([C@H](O[C@H]1N2C=NC3=C2N=CN=C3Cl)CO)O)F
InChI
InChI=1S/C11H12ClFN4O3/c1-11(13)7(19)5(2-18)20-10(11)17-4-16-6-8(12)14-3-15-9(6)17/h3-5,7,10,18-19H,2H2,1H3/t5-,7-,10-,11-/m1/s1
InChIKey
OLKPWBIQCZNQBJ-YRKGHMEHSA-N
Compound name
(2R,3R,4R,5R)-5-(6-chloropurin-9-yl)-4-fluoro-2-(hydroxymethyl)-4-methyloxolan-3-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

302.0582 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 303.06548 161.1
[M+Na]+ 325.04742 174.1
[M-H]- 301.05092 161.9
[M+NH4]+ 320.09202 176.2
[M+K]+ 341.02136 169.6
[M+H-H2O]+ 285.05546 153.1
[M+HCOO]- 347.05640 172.0
[M+CH3COO]- 361.07205 172.6
[M+Na-2H]- 323.03287 163.1
[M]+ 302.05765 164.5
[M]- 302.05875 164.5
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

No patent data available for this compound.