CID 451363

51246-79-8

Structural Information

Molecular Formula
C9H12FN3O3
SMILES
C1[C@@H]([C@H](O[C@H]1N2C=CC(=NC2=O)N)CO)F
InChI
InChI=1S/C9H12FN3O3/c10-5-3-8(16-6(5)4-14)13-2-1-7(11)12-9(13)15/h1-2,5-6,8,14H,3-4H2,(H2,11,12,15)/t5-,6+,8+/m0/s1
InChIKey
HNSUDSIHCJEYQG-SHYZEUOFSA-N
Compound name
4-amino-1-[(2R,4S,5R)-4-fluoro-5-(hydroxymethyl)oxolan-2-yl]pyrimidin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

9
References

110
Patents

229.08627 Da
Monoisotopic Mass

-0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 230.09355 147.1
[M+Na]+ 252.07549 156.3
[M-H]- 228.07899 149.5
[M+NH4]+ 247.12009 162.1
[M+K]+ 268.04943 154.0
[M+H-H2O]+ 212.08353 138.7
[M+HCOO]- 274.08447 166.1
[M+CH3COO]- 288.10012 187.8
[M+Na-2H]- 250.06094 149.4
[M]+ 229.08572 144.5
[M]- 229.08682 144.5
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.