CID 515102

5'-deoxy-fiac

Structural Information

Molecular Formula
C9H11FIN3O3
SMILES
C[C@@H]1[C@H]([C@@H]([C@@H](O1)N2C=C(C(=NC2=O)N)I)F)O
InChI
InChI=1S/C9H11FIN3O3/c1-3-6(15)5(10)8(17-3)14-2-4(11)7(12)13-9(14)16/h2-3,5-6,8,15H,1H3,(H2,12,13,16)/t3-,5+,6-,8-/m1/s1
InChIKey
GMBXABYLHJQTRF-YTKLMKCDSA-N
Compound name
4-amino-1-[(2R,3S,4R,5R)-3-fluoro-4-hydroxy-5-methyloxolan-2-yl]-5-iodopyrimidin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

354.9829 Da
Monoisotopic Mass

-0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 355.99018 160.7
[M+Na]+ 377.97212 164.2
[M-H]- 353.97562 156.8
[M+NH4]+ 373.01672 170.7
[M+K]+ 393.94606 167.4
[M+H-H2O]+ 337.98016 149.3
[M+HCOO]- 399.98110 174.4
[M+CH3COO]- 413.99675 201.2
[M+Na-2H]- 375.95757 149.5
[M]+ 354.98235 156.5
[M]- 354.98345 156.5
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.