CID 25247485

1011397-67-3

Structural Information

Molecular Formula
C19H12FN3O2
SMILES
C1=CC=C(C=C1)C2=NC3=C(C=NN3C4=CC=C(C=C4)F)C(=C2)C(=O)O
InChI
InChI=1S/C19H12FN3O2/c20-13-6-8-14(9-7-13)23-18-16(11-21-23)15(19(24)25)10-17(22-18)12-4-2-1-3-5-12/h1-11H,(H,24,25)
InChIKey
HMXZKXBILOZHMK-UHFFFAOYSA-N
Compound name
1-(4-fluorophenyl)-6-phenylpyrazolo[3,4-b]pyridine-4-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

333.09137 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 334.09865 176.0
[M+Na]+ 356.08059 186.9
[M-H]- 332.08409 181.5
[M+NH4]+ 351.12519 187.4
[M+K]+ 372.05453 179.6
[M+H-H2O]+ 316.08863 164.7
[M+HCOO]- 378.08957 194.7
[M+CH3COO]- 392.10522 186.7
[M+Na-2H]- 354.06604 179.7
[M]+ 333.09082 176.8
[M]- 333.09192 176.8
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.