CID 451842

3'-azido-2',3'-dideoxy-5-trifluoromethyluridine

Structural Information

Molecular Formula
C10H10F3N5O4
SMILES
C1[C@@H]([C@H](O[C@H]1N2C=C(C(=O)NC2=O)C(F)(F)F)CO)N=[N+]=[N-]
InChI
InChI=1S/C10H10F3N5O4/c11-10(12,13)4-2-18(9(21)15-8(4)20)7-1-5(16-17-14)6(3-19)22-7/h2,5-7,19H,1,3H2,(H,15,20,21)/t5-,6+,7+/m0/s1
InChIKey
LYWDBOUHROZMIU-RRKCRQDMSA-N
Compound name
1-[(2R,4S,5S)-4-azido-5-(hydroxymethyl)oxolan-2-yl]-5-(trifluoromethyl)pyrimidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

23
Patents

321.06848 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 322.07576 163.0
[M+Na]+ 344.05770 171.6
[M-H]- 320.06120 165.0
[M+NH4]+ 339.10230 174.0
[M+K]+ 360.03164 163.6
[M+H-H2O]+ 304.06574 157.1
[M+HCOO]- 366.06668 183.1
[M+CH3COO]- 380.08233 201.3
[M+Na-2H]- 342.04315 170.1
[M]+ 321.06793 156.3
[M]- 321.06903 156.3
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.