CID 125883

3'-o-benzyl-2'-deoxy-5-trifluoromethyluridine

Structural Information

Molecular Formula
C17H17F3N2O5
SMILES
C1[C@@H]([C@H](O[C@H]1N2C=C(C(=O)NC2=O)C(F)(F)F)CO)OCC3=CC=CC=C3
InChI
InChI=1S/C17H17F3N2O5/c18-17(19,20)11-7-22(16(25)21-15(11)24)14-6-12(13(8-23)27-14)26-9-10-4-2-1-3-5-10/h1-5,7,12-14,23H,6,8-9H2,(H,21,24,25)/t12-,13+,14+/m0/s1
InChIKey
REIREIWZLGFJBI-BFHYXJOUSA-N
Compound name
1-[(2R,4S,5R)-5-(hydroxymethyl)-4-phenylmethoxyoxolan-2-yl]-5-(trifluoromethyl)pyrimidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

12
Patents

386.10895 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 387.11623 191.0
[M+Na]+ 409.09817 199.3
[M+NH4]+ 404.14277 192.8
[M+K]+ 425.07211 197.3
[M-H]- 385.10167 188.8
[M+Na-2H]- 407.08362 192.7
[M]+ 386.10840 191.0
[M]- 386.10950 191.0
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