CID 515105

5'-deoxy-fac

Structural Information

Molecular Formula
C9H12FN3O3
SMILES
C[C@@H]1[C@H]([C@@H]([C@@H](O1)N2C=CC(=NC2=O)N)F)O
InChI
InChI=1S/C9H12FN3O3/c1-4-7(14)6(10)8(16-4)13-3-2-5(11)12-9(13)15/h2-4,6-8,14H,1H3,(H2,11,12,15)/t4-,6+,7-,8-/m1/s1
InChIKey
OCXOUAZGYAUARN-PXBUCIJWSA-N
Compound name
4-amino-1-[(2R,3S,4R,5R)-3-fluoro-4-hydroxy-5-methyloxolan-2-yl]pyrimidin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

1
Patents

229.08627 Da
Monoisotopic Mass

-0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 230.09355 147.6
[M+Na]+ 252.07549 157.8
[M-H]- 228.07899 150.5
[M+NH4]+ 247.12009 162.9
[M+K]+ 268.04943 155.4
[M+H-H2O]+ 212.08353 139.6
[M+HCOO]- 274.08447 166.6
[M+CH3COO]- 288.10012 189.1
[M+Na-2H]- 250.06094 149.2
[M]+ 229.08572 145.5
[M]- 229.08682 145.5
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

patents stripe