CID 16728585

2(1h)-pyrimidinone, 4-amino-1-[(2r,5s)-4-(4-fluorophenyl)-2,5-dihydro-5-(hydroxymethyl)-2-furanyl]-

Structural Information

Molecular Formula
C15H14FN3O3
SMILES
C1=CC(=CC=C1C2=C[C@@H](O[C@@H]2CO)N3C=CC(=NC3=O)N)F
InChI
InChI=1S/C15H14FN3O3/c16-10-3-1-9(2-4-10)11-7-14(22-12(11)8-20)19-6-5-13(17)18-15(19)21/h1-7,12,14,20H,8H2,(H2,17,18,21)/t12-,14-/m1/s1
InChIKey
DLJBGKRNAIIEMH-TZMCWYRMSA-N
Compound name
4-amino-1-[(2R,5S)-4-(4-fluorophenyl)-5-(hydroxymethyl)-2,5-dihydrofuran-2-yl]pyrimidin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

303.10193 Da
Monoisotopic Mass

-0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 304.10921 167.6
[M+Na]+ 326.09115 177.5
[M-H]- 302.09465 173.6
[M+NH4]+ 321.13575 179.3
[M+K]+ 342.06509 173.0
[M+H-H2O]+ 286.09919 157.7
[M+HCOO]- 348.10013 187.3
[M+CH3COO]- 362.11578 178.9
[M+Na-2H]- 324.07660 169.2
[M]+ 303.10138 166.6
[M]- 303.10248 166.6
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.