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

literature stripe

Patent stripe

patents stripe