CID 511646

3-((2r,4s,5r)-4-fluoro-5-hydroxymethyl-tetrahydro-furan-2-yl)-6-octyl-3h-furo[2,3-d]pyrimidin-2-one

Structural Information

Molecular Formula
C19H27FN2O4
SMILES
CCCCCCCCC1=CC2=CN(C(=O)N=C2O1)[C@H]3C[C@@H]([C@H](O3)CO)F
InChI
InChI=1S/C19H27FN2O4/c1-2-3-4-5-6-7-8-14-9-13-11-22(19(24)21-18(13)25-14)17-10-15(20)16(12-23)26-17/h9,11,15-17,23H,2-8,10,12H2,1H3/t15-,16+,17+/m0/s1
InChIKey
FWRBDZYNEZNDHG-GVDBMIGSSA-N
Compound name
3-[(2R,4S,5R)-4-fluoro-5-(hydroxymethyl)oxolan-2-yl]-6-octylfuro[2,3-d]pyrimidin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

366.1955 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 367.20278 187.5
[M+Na]+ 389.18472 196.1
[M-H]- 365.18822 191.4
[M+NH4]+ 384.22932 199.1
[M+K]+ 405.15866 192.9
[M+H-H2O]+ 349.19276 179.3
[M+HCOO]- 411.19370 203.8
[M+CH3COO]- 425.20935 214.2
[M+Na-2H]- 387.17017 185.9
[M]+ 366.19495 193.5
[M]- 366.19605 193.5
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.