CID 510993

3-[(5s,2r)-5-(hydroxymethyl)oxolan-2-yl]-6-amino-5-(trifluoromethyl)-3-hydropyrimidin-2-one

Structural Information

Molecular Formula
C10H12F3N3O3
SMILES
C1C[C@@H](O[C@@H]1CO)N2C=C(C(=NC2=O)N)C(F)(F)F
InChI
InChI=1S/C10H12F3N3O3/c11-10(12,13)6-3-16(9(18)15-8(6)14)7-2-1-5(4-17)19-7/h3,5,7,17H,1-2,4H2,(H2,14,15,18)/t5-,7+/m0/s1
InChIKey
KZDCSXQRWXRCCD-CAHLUQPWSA-N
Compound name
4-amino-1-[(2R,5S)-5-(hydroxymethyl)oxolan-2-yl]-5-(trifluoromethyl)pyrimidin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

279.08307 Da
Monoisotopic Mass

-0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 280.09035 157.5
[M+Na]+ 302.07229 166.7
[M-H]- 278.07579 157.3
[M+NH4]+ 297.11689 170.4
[M+K]+ 318.04623 163.8
[M+H-H2O]+ 262.08033 147.7
[M+HCOO]- 324.08127 172.3
[M+CH3COO]- 338.09692 196.2
[M+Na-2H]- 300.05774 159.1
[M]+ 279.08252 152.3
[M]- 279.08362 152.3
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.