CID 510996

3-[(2s,4r,5r)-4-(diazoazamvinyl)-5-(hydroxymethyl)oxolan-2-yl]-6-amino-5-(trifluoromethyl)-3-hydropyrimidin-2-one

Structural Information

Molecular Formula
C10H11F3N6O3
SMILES
C1[C@H]([C@@H](O[C@@H]1N2C=C(C(=NC2=O)N)C(F)(F)F)CO)N=[N+]=[N-]
InChI
InChI=1S/C10H11F3N6O3/c11-10(12,13)4-2-19(9(21)16-8(4)14)7-1-5(17-18-15)6(3-20)22-7/h2,5-7,20H,1,3H2,(H2,14,16,21)/t5-,6+,7+/m1/s1
InChIKey
YPWUEGFSOZKUJG-VQVTYTSYSA-N
Compound name
4-amino-1-[(2S,4R,5R)-4-azido-5-(hydroxymethyl)oxolan-2-yl]-5-(trifluoromethyl)pyrimidin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

320.08447 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 321.09175 163.9
[M+Na]+ 343.07369 171.9
[M-H]- 319.07719 166.7
[M+NH4]+ 338.11829 175.1
[M+K]+ 359.04763 164.4
[M+H-H2O]+ 303.08173 157.4
[M+HCOO]- 365.08267 185.4
[M+CH3COO]- 379.09832 206.9
[M+Na-2H]- 341.05914 170.8
[M]+ 320.08392 156.6
[M]- 320.08502 156.6
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.