CID 501428

Chembl128976

Structural Information

Molecular Formula
C10H10FN5OS
SMILES
C1=C([C@H](S[C@H]1CO)N2C=NC3=C(N=CN=C32)N)F
InChI
InChI=1S/C10H10FN5OS/c11-6-1-5(2-17)18-10(6)16-4-15-7-8(12)13-3-14-9(7)16/h1,3-5,10,17H,2H2,(H2,12,13,14)/t5-,10+/m1/s1
InChIKey
AUBCBKWXMZJHKU-FWOIEVBISA-N
Compound name
[(2R,5S)-5-(6-aminopurin-9-yl)-4-fluoro-2,5-dihydrothiophen-2-yl]methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

5
Patents

267.05902 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 268.06630 153.6
[M+Na]+ 290.04824 166.6
[M-H]- 266.05174 155.4
[M+NH4]+ 285.09284 169.8
[M+K]+ 306.02218 161.1
[M+H-H2O]+ 250.05628 145.8
[M+HCOO]- 312.05722 169.1
[M+CH3COO]- 326.07287 165.8
[M+Na-2H]- 288.03369 154.1
[M]+ 267.05847 155.4
[M]- 267.05957 155.4
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