CID 10038386

Emtricitabine s-oxide

Structural Information

Molecular Formula
C8H10FN3O4S
SMILES
C1[C@H](O[C@H](S1=O)CO)N2C=C(C(=NC2=O)N)F
InChI
InChI=1S/C8H10FN3O4S/c9-4-1-12(8(14)11-7(4)10)5-3-17(15)6(2-13)16-5/h1,5-6,13H,2-3H2,(H2,10,11,14)/t5-,6+,17?/m0/s1
InChIKey
DMOMZPWPIDCLMB-YGFFCSEESA-N
Compound name
4-amino-5-fluoro-1-[(2R,5S)-2-(hydroxymethyl)-3-oxo-1,3-oxathiolan-5-yl]pyrimidin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

263.0376 Da
Monoisotopic Mass

-2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 264.04488 156.0
[M+Na]+ 286.02682 165.3
[M+NH4]+ 281.07142 160.8
[M+K]+ 302.00076 162.3
[M-H]- 262.03032 156.4
[M+Na-2H]- 284.01227 157.6
[M]+ 263.03705 157.3
[M]- 263.03815 157.3
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.