CID 167735086

3-cyclopropyl-1-(4-fluorophenyl)-6-oxo-6,7-dihydro-1h-pyrazolo[3,4-b]pyridine-4-carboxylic acid

Structural Information

Molecular Formula
C16H12FN3O3
SMILES
C1CC1C2=NN(C3=C2C(=CC(=O)N3)C(=O)O)C4=CC=C(C=C4)F
InChI
InChI=1S/C16H12FN3O3/c17-9-3-5-10(6-4-9)20-15-13(14(19-20)8-1-2-8)11(16(22)23)7-12(21)18-15/h3-8H,1-2H2,(H,18,21)(H,22,23)
InChIKey
KZRGEUOSTYIQTO-UHFFFAOYSA-N
Compound name
3-cyclopropyl-1-(4-fluorophenyl)-6-oxo-7H-pyrazolo[3,4-b]pyridine-4-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

313.08627 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 314.09355 172.4
[M+Na]+ 336.07549 185.6
[M-H]- 312.07899 177.2
[M+NH4]+ 331.12009 180.0
[M+K]+ 352.04943 176.9
[M+H-H2O]+ 296.08353 163.3
[M+HCOO]- 358.08447 190.3
[M+CH3COO]- 372.10012 182.8
[M+Na-2H]- 334.06094 174.1
[M]+ 313.08572 175.1
[M]- 313.08682 175.1
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.