CID 454533

Oxathiolan 2fpur-beta

Structural Information

Molecular Formula
C9H10FN5O2S
SMILES
C1[C@H](O[C@H](S1)CO)N2C=NC3=C(N=C(N=C32)F)N
InChI
InChI=1S/C9H10FN5O2S/c10-9-13-7(11)6-8(14-9)15(3-12-6)4-2-18-5(1-16)17-4/h3-5,16H,1-2H2,(H2,11,13,14)/t4-,5+/m0/s1
InChIKey
FHYHYXRPVWILHN-CRCLSJGQSA-N
Compound name
[(2R,5S)-5-(6-amino-2-fluoropurin-9-yl)-1,3-oxathiolan-2-yl]methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

271.05392 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 272.06120 153.9
[M+Na]+ 294.04314 166.1
[M-H]- 270.04664 155.9
[M+NH4]+ 289.08774 168.4
[M+K]+ 310.01708 162.6
[M+H-H2O]+ 254.05118 146.3
[M+HCOO]- 316.05212 167.6
[M+CH3COO]- 330.06777 165.8
[M+Na-2H]- 292.02859 154.2
[M]+ 271.05337 155.7
[M]- 271.05447 155.7
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.