CID 167735086

3-cyclopropyl-1-(4-fluorophenyl)-6-oxo-1h,6h,7h-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[5,4-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]+ 314.093546 172.4
[M+Na]+ 336.075488 185.6
[M-H]- 312.078994 177.2
[M+NH4]+ 331.120093 180.0
[M+K]+ 352.049428 176.9
[M+H-H2O]+ 296.083530 163.3
[M+HCOO]- 358.084471 190.3
[M+CH3COO]- 372.100121 182.8
[M+Na-2H]- 334.060936 174.1
[M]+ 313.08572142 175.1
[M]- 313.08681858 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.