CID 16079167

4(1h)-quinolinone, 6-fluoro-1-.beta.-d-ribofuranosyl-

Structural Information

Molecular Formula
C14H14FNO5
SMILES
C1=CC2=C(C=C1F)C(=O)C=CN2[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O
InChI
InChI=1S/C14H14FNO5/c15-7-1-2-9-8(5-7)10(18)3-4-16(9)14-13(20)12(19)11(6-17)21-14/h1-5,11-14,17,19-20H,6H2/t11-,12-,13-,14-/m1/s1
InChIKey
RPNDRENYZRYPBO-AAVRWANBSA-N
Compound name
1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-6-fluoroquinolin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

295.0856 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 296.09288 162.4
[M+Na]+ 318.07482 172.3
[M-H]- 294.07832 165.3
[M+NH4]+ 313.11942 176.5
[M+K]+ 334.04876 168.6
[M+H-H2O]+ 278.08286 155.3
[M+HCOO]- 340.08380 177.7
[M+CH3COO]- 354.09945 195.9
[M+Na-2H]- 316.06027 163.8
[M]+ 295.08505 161.9
[M]- 295.08615 161.9
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.