CID 453114

2',3'-dideoxy-5-pentyloxymethyluridine

Structural Information

Molecular Formula
C15H24N2O5
SMILES
CCCCCOCC1=CN(C(=O)NC1=O)[C@H]2CC[C@H](O2)CO
InChI
InChI=1S/C15H24N2O5/c1-2-3-4-7-21-10-11-8-17(15(20)16-14(11)19)13-6-5-12(9-18)22-13/h8,12-13,18H,2-7,9-10H2,1H3,(H,16,19,20)/t12-,13+/m0/s1
InChIKey
LGJNLXMAOJVQID-QWHCGFSZSA-N
Compound name
1-[(2R,5S)-5-(hydroxymethyl)oxolan-2-yl]-5-(pentoxymethyl)pyrimidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

312.16852 Da
Monoisotopic Mass

-0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 313.17580 171.8
[M+Na]+ 335.15774 178.6
[M-H]- 311.16124 173.7
[M+NH4]+ 330.20234 183.0
[M+K]+ 351.13168 175.6
[M+H-H2O]+ 295.16578 163.6
[M+HCOO]- 357.16672 188.4
[M+CH3COO]- 371.18237 200.0
[M+Na-2H]- 333.14319 171.9
[M]+ 312.16797 174.4
[M]- 312.16907 174.4
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.