CID 25248185

1018127-56-4

Structural Information

Molecular Formula
C17H16FN3O2
SMILES
CC1=NN(C2=C1C(=CC(=N2)C(C)C)C(=O)O)C3=CC=CC=C3F
InChI
InChI=1S/C17H16FN3O2/c1-9(2)13-8-11(17(22)23)15-10(3)20-21(16(15)19-13)14-7-5-4-6-12(14)18/h4-9H,1-3H3,(H,22,23)
InChIKey
BXSUCJBFZBTLTD-UHFFFAOYSA-N
Compound name
1-(2-fluorophenyl)-3-methyl-6-propan-2-ylpyrazolo[3,4-b]pyridine-4-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

313.12265 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 314.12993 173.3
[M+Na]+ 336.11187 187.3
[M+NH4]+ 331.15647 179.1
[M+K]+ 352.08581 183.2
[M-H]- 312.11537 173.8
[M+Na-2H]- 334.09732 178.8
[M]+ 313.12210 175.3
[M]- 313.12320 175.3
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.