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

No literature data available for this compound.

Patent stripe

No patent data available for this compound.