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[5,4-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]+ 334.098646 176.0
[M+Na]+ 356.080588 186.9
[M-H]- 332.084094 181.5
[M+NH4]+ 351.125193 187.4
[M+K]+ 372.054528 179.6
[M+H-H2O]+ 316.088630 164.7
[M+HCOO]- 378.089571 194.7
[M+CH3COO]- 392.105221 186.7
[M+Na-2H]- 354.066036 179.7
[M]+ 333.09082142 176.8
[M]- 333.09191858 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.