CID 5272211

[(2r,3s,4s,5r)-5-(4-amino-2-oxo-pyrimidin-1-yl)-4-hydroxy-2-(hydroxymethyl)tetrahydrofuran-3-yl] octanoate

Structural Information

Molecular Formula
C17H27N3O6
SMILES
CCCCCCCC(=O)O[C@@H]1[C@H](O[C@H]([C@H]1O)N2C=CC(=NC2=O)N)CO
InChI
InChI=1S/C17H27N3O6/c1-2-3-4-5-6-7-13(22)26-15-11(10-21)25-16(14(15)23)20-9-8-12(18)19-17(20)24/h8-9,11,14-16,21,23H,2-7,10H2,1H3,(H2,18,19,24)/t11-,14+,15-,16-/m1/s1
InChIKey
WDQZYCGBOLNUOV-MSQAHXEGSA-N
Compound name
[(2R,3S,4S,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-4-hydroxy-2-(hydroxymethyl)oxolan-3-yl] octanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

369.18997 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 370.19725 187.5
[M+Na]+ 392.17919 192.8
[M-H]- 368.18269 189.1
[M+NH4]+ 387.22379 195.8
[M+K]+ 408.15313 190.5
[M+H-H2O]+ 352.18723 178.8
[M+HCOO]- 414.18817 203.0
[M+CH3COO]- 428.20382 214.8
[M+Na-2H]- 390.16464 184.6
[M]+ 369.18942 190.2
[M]- 369.19052 190.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.