CID 501431

Chembl515100

Structural Information

Molecular Formula
C10H9F2N5OS
SMILES
C1=C([C@H](S[C@H]1CO)N2C=NC3=C(N=C(N=C32)F)N)F
InChI
InChI=1S/C10H9F2N5OS/c11-5-1-4(2-18)19-9(5)17-3-14-6-7(13)15-10(12)16-8(6)17/h1,3-4,9,18H,2H2,(H2,13,15,16)/t4-,9+/m1/s1
InChIKey
AXODMUZULWFLIS-MOFOKWOHSA-N
Compound name
[(2R,5S)-5-(6-amino-2-fluoropurin-9-yl)-4-fluoro-2,5-dihydrothiophen-2-yl]methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

4
Patents

285.0496 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 286.05688 156.2
[M+Na]+ 308.03882 169.9
[M-H]- 284.04232 156.9
[M+NH4]+ 303.08342 171.8
[M+K]+ 324.01276 163.9
[M+H-H2O]+ 268.04686 147.7
[M+HCOO]- 330.04780 170.5
[M+CH3COO]- 344.06345 168.0
[M+Na-2H]- 306.02427 155.4
[M]+ 285.04905 157.4
[M]- 285.05015 157.4
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