CID 3006515

Nsc646086

Structural Information

Molecular Formula
C12H14F3N5O5
SMILES
C1[C@@H]([C@H](O[C@H]1N2C=C(C(=O)NC2=O)COCC(F)(F)F)CO)N=[N+]=[N-]
InChI
InChI=1S/C12H14F3N5O5/c13-12(14,15)5-24-4-6-2-20(11(23)17-10(6)22)9-1-7(18-19-16)8(3-21)25-9/h2,7-9,21H,1,3-5H2,(H,17,22,23)/t7-,8+,9+/m0/s1
InChIKey
GQGJQGSYVHQWJI-DJLDLDEBSA-N
Compound name
1-[(2R,4S,5S)-4-azido-5-(hydroxymethyl)oxolan-2-yl]-5-(2,2,2-trifluoroethoxymethyl)pyrimidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

365.0947 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 366.10198 174.4
[M+Na]+ 388.08392 181.8
[M-H]- 364.08742 176.1
[M+NH4]+ 383.12852 183.5
[M+K]+ 404.05786 174.0
[M+H-H2O]+ 348.09196 167.9
[M+HCOO]- 410.09290 194.0
[M+CH3COO]- 424.10855 209.7
[M+Na-2H]- 386.06937 180.9
[M]+ 365.09415 169.7
[M]- 365.09525 169.7
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.