CID 10664574

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

Structural Information

Molecular Formula
C16H17FN2O5
SMILES
C1[C@@H]([C@H](O[C@H]1N2C=C(C(=O)NC2=O)F)CO)OCC3=CC=CC=C3
InChI
InChI=1S/C16H17FN2O5/c17-11-7-19(16(22)18-15(11)21)14-6-12(13(8-20)24-14)23-9-10-4-2-1-3-5-10/h1-5,7,12-14,20H,6,8-9H2,(H,18,21,22)/t12-,13+,14+/m0/s1
InChIKey
FFOLVUZLQQMMIP-BFHYXJOUSA-N
Compound name
5-fluoro-1-[(2R,4S,5R)-5-(hydroxymethyl)-4-phenylmethoxyoxolan-2-yl]pyrimidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

31
Patents

336.11215 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 337.11943 173.6
[M+Na]+ 359.10137 182.2
[M-H]- 335.10487 178.2
[M+NH4]+ 354.14597 183.5
[M+K]+ 375.07531 178.1
[M+H-H2O]+ 319.10941 163.8
[M+HCOO]- 381.11035 190.1
[M+CH3COO]- 395.12600 203.2
[M+Na-2H]- 357.08682 174.0
[M]+ 336.11160 173.4
[M]- 336.11270 173.4
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