CID 16728590

2(1h)-pyrimidinone, 4-amino-1-[2,3-dideoxy-3-(3-fluorophenyl)-b-d-threo-pentofuranosyl]-

Structural Information

Molecular Formula
C15H16FN3O3
SMILES
C1[C@H]([C@H](O[C@H]1N2C=CC(=NC2=O)N)CO)C3=CC(=CC=C3)F
InChI
InChI=1S/C15H16FN3O3/c16-10-3-1-2-9(6-10)11-7-14(22-12(11)8-20)19-5-4-13(17)18-15(19)21/h1-6,11-12,14,20H,7-8H2,(H2,17,18,21)/t11-,12+,14+/m0/s1
InChIKey
QKNLNZCDHHHMAC-OUCADQQQSA-N
Compound name
4-amino-1-[(2R,4S,5S)-4-(3-fluorophenyl)-5-(hydroxymethyl)oxolan-2-yl]pyrimidin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

305.11758 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 306.12486 168.9
[M+Na]+ 328.10680 177.7
[M-H]- 304.11030 174.5
[M+NH4]+ 323.15140 180.4
[M+K]+ 344.08074 173.4
[M+H-H2O]+ 288.11484 158.9
[M+HCOO]- 350.11578 187.2
[M+CH3COO]- 364.13143 179.6
[M+Na-2H]- 326.09225 169.5
[M]+ 305.11703 166.4
[M]- 305.11813 166.4
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

No patent data available for this compound.