CID 510997

4-amino-1-[(2s,5r)-5-(hydroxymethyl)-2,5-dihydrofuran-2-yl]-5-(trifluoromethyl)pyrimidin-2-one

Structural Information

Molecular Formula
C10H10F3N3O3
SMILES
C1=C[C@H](O[C@H]1CO)N2C=C(C(=NC2=O)N)C(F)(F)F
InChI
InChI=1S/C10H10F3N3O3/c11-10(12,13)6-3-16(9(18)15-8(6)14)7-2-1-5(4-17)19-7/h1-3,5,7,17H,4H2,(H2,14,15,18)/t5-,7+/m1/s1
InChIKey
FZTQCDXVIIBWHB-VDTYLAMSSA-N
Compound name
4-amino-1-[(2S,5R)-5-(hydroxymethyl)-2,5-dihydrofuran-2-yl]-5-(trifluoromethyl)pyrimidin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

277.0674 Da
Monoisotopic Mass

-0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 278.07468 156.0
[M+Na]+ 300.05662 166.2
[M-H]- 276.06012 156.2
[M+NH4]+ 295.10122 169.0
[M+K]+ 316.03056 163.1
[M+H-H2O]+ 260.06466 146.2
[M+HCOO]- 322.06560 172.3
[M+CH3COO]- 336.08125 195.8
[M+Na-2H]- 298.04207 158.5
[M]+ 277.06685 152.2
[M]- 277.06795 152.2
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.