CID 5273078

3h-pyrazolo[4,3-c]quinolin-3-one, 2-(4-fluorophenyl)-2,5-dihydro-8-methyl-5-d-ribofuranosyl-

Structural Information

Molecular Formula
C22H20FN3O5
SMILES
CC1=CC2=C(C=C1)N(C=C3C2=NN(C3=O)C4=CC=C(C=C4)F)C5[C@@H]([C@@H]([C@H](O5)CO)O)O
InChI
InChI=1S/C22H20FN3O5/c1-11-2-7-16-14(8-11)18-15(9-25(16)22-20(29)19(28)17(10-27)31-22)21(30)26(24-18)13-5-3-12(23)4-6-13/h2-9,17,19-20,22,27-29H,10H2,1H3/t17-,19-,20-,22?/m1/s1
InChIKey
QYGVMLBDKXENLI-JJDPIIQBSA-N
Compound name
5-[(3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-2-(4-fluorophenyl)-8-methylpyrazolo[4,3-c]quinolin-3-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

425.1387 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 426.14598 200.0
[M+Na]+ 448.12792 211.5
[M-H]- 424.13142 205.9
[M+NH4]+ 443.17252 208.7
[M+K]+ 464.10186 205.5
[M+H-H2O]+ 408.13596 190.9
[M+HCOO]- 470.13690 212.6
[M+CH3COO]- 484.15255 209.1
[M+Na-2H]- 446.11337 197.1
[M]+ 425.13815 202.9
[M]- 425.13925 202.9
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.