CID 64990

119555-47-4

Structural Information

Molecular Formula
C9H12FN3O3
SMILES
C1[C@H](O[C@H]([C@H]1F)N2C=CC(=NC2=O)N)CO
InChI
InChI=1S/C9H12FN3O3/c10-6-3-5(4-14)16-8(6)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
LTDCCBLBAQXNKP-VMHSAVOQSA-N
Compound name
4-amino-1-[(2R,3S,5S)-3-fluoro-5-(hydroxymethyl)oxolan-2-yl]pyrimidin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

9
References

184
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 149.2
[M+Na]+ 252.07549 159.1
[M+NH4]+ 247.12009 154.5
[M+K]+ 268.04943 157.3
[M-H]- 228.07899 150.1
[M+Na-2H]- 250.06094 152.3
[M]+ 229.08572 150.4
[M]- 229.08682 150.4
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