CID 493476

Cf1656

Structural Information

Molecular Formula
C20H29FN2O5
SMILES
C1[C@@H]([C@H](O[C@H]1N2C=C3C=C(OC3=NC2=O)CCCCCCCCCF)CO)O
InChI
InChI=1S/C20H29FN2O5/c21-9-7-5-3-1-2-4-6-8-15-10-14-12-23(20(26)22-19(14)27-15)18-11-16(25)17(13-24)28-18/h10,12,16-18,24-25H,1-9,11,13H2/t16-,17+,18+/m0/s1
InChIKey
BDHNAZQUWYSHJE-RCCFBDPRSA-N
Compound name
6-(9-fluorononyl)-3-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]furo[2,3-d]pyrimidin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

4
References

0
Patents

396.20605 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 397.21333 194.3
[M+Na]+ 419.19527 201.7
[M-H]- 395.19877 196.8
[M+NH4]+ 414.23987 203.9
[M+K]+ 435.16921 198.2
[M+H-H2O]+ 379.20331 186.0
[M+HCOO]- 441.20425 208.9
[M+CH3COO]- 455.21990 217.1
[M+Na-2H]- 417.18072 192.2
[M]+ 396.20550 200.3
[M]- 396.20660 200.3
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

No patent data available for this compound.