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

literature stripe

Patent stripe

patents stripe