CID 5273081

3h-pyrazolo[4,3-c]quinolin-3-one, 7-fluoro-2-(4-fluorophenyl)-2,5-dihydro-5-d-ribofuranosyl-

Structural Information

Molecular Formula
C21H17F2N3O5
SMILES
C1=CC(=CC=C1N2C(=O)C3=CN(C4=C(C3=N2)C=CC(=C4)F)C5[C@@H]([C@@H]([C@H](O5)CO)O)O)F
InChI
InChI=1S/C21H17F2N3O5/c22-10-1-4-12(5-2-10)26-20(30)14-8-25(21-19(29)18(28)16(9-27)31-21)15-7-11(23)3-6-13(15)17(14)24-26/h1-8,16,18-19,21,27-29H,9H2/t16-,18-,19-,21?/m1/s1
InChIKey
FPEIRSDGYLQOKZ-UHIUIGMWSA-N
Compound name
5-[(3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-7-fluoro-2-(4-fluorophenyl)pyrazolo[4,3-c]quinolin-3-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

429.11362 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 430.12090 198.2
[M+Na]+ 452.10284 210.3
[M-H]- 428.10634 203.0
[M+NH4]+ 447.14744 206.8
[M+K]+ 468.07678 204.0
[M+H-H2O]+ 412.11088 188.4
[M+HCOO]- 474.11182 210.2
[M+CH3COO]- 488.12747 207.2
[M+Na-2H]- 450.08829 195.4
[M]+ 429.11307 200.0
[M]- 429.11417 200.0
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.