CID 454478

2',3'-dideoxy-3'-fluoro-5-(piperidinomethyl)uridine

Structural Information

Molecular Formula
C15H22FN3O4
SMILES
C1CCN(CC1)CC2=CN(C(=O)NC2=O)[C@H]3C[C@@H]([C@H](O3)CO)F
InChI
InChI=1S/C15H22FN3O4/c16-11-6-13(23-12(11)9-20)19-8-10(14(21)17-15(19)22)7-18-4-2-1-3-5-18/h8,11-13,20H,1-7,9H2,(H,17,21,22)/t11-,12+,13+/m0/s1
InChIKey
OWOCFDGFNANUGM-YNEHKIRRSA-N
Compound name
1-[(2R,4S,5R)-4-fluoro-5-(hydroxymethyl)oxolan-2-yl]-5-(piperidin-1-ylmethyl)pyrimidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

327.15942 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 328.16670 176.2
[M+Na]+ 350.14864 182.4
[M-H]- 326.15214 178.3
[M+NH4]+ 345.19324 184.9
[M+K]+ 366.12258 178.0
[M+H-H2O]+ 310.15668 165.8
[M+HCOO]- 372.15762 187.1
[M+CH3COO]- 386.17327 202.0
[M+Na-2H]- 348.13409 173.7
[M]+ 327.15887 170.4
[M]- 327.15997 170.4
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

No patent data available for this compound.