CID 478061

4-amino-1-[(2r,5s)-2-(hydroxymethyl)-1,3-oxathiolan-5-yl]-5-(trifluoromethyl)pyrimidin-2-one

Structural Information

Molecular Formula
C9H10F3N3O3S
SMILES
C1[C@H](O[C@H](S1)CO)N2C=C(C(=NC2=O)N)C(F)(F)F
InChI
InChI=1S/C9H10F3N3O3S/c10-9(11,12)4-1-15(8(17)14-7(4)13)5-3-19-6(2-16)18-5/h1,5-6,16H,2-3H2,(H2,13,14,17)/t5-,6+/m0/s1
InChIKey
BIORXLJOKXBVIG-NTSWFWBYSA-N
Compound name
4-amino-1-[(2R,5S)-2-(hydroxymethyl)-1,3-oxathiolan-5-yl]-5-(trifluoromethyl)pyrimidin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

297.0395 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 298.04678 159.1
[M+Na]+ 320.02872 168.9
[M-H]- 296.03222 159.0
[M+NH4]+ 315.07332 171.9
[M+K]+ 336.00266 165.3
[M+H-H2O]+ 280.03676 150.0
[M+HCOO]- 342.03770 169.5
[M+CH3COO]- 356.05335 196.8
[M+Na-2H]- 318.01417 158.6
[M]+ 297.03895 156.0
[M]- 297.04005 156.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.