CID 25247517

1011396-46-5

Structural Information

Molecular Formula
C19H11F2N3O2
SMILES
C1=CC=C(C(=C1)N2C3=C(C=N2)C(=CC(=N3)C4=CC=C(C=C4)F)C(=O)O)F
InChI
InChI=1S/C19H11F2N3O2/c20-12-7-5-11(6-8-12)16-9-13(19(25)26)14-10-22-24(18(14)23-16)17-4-2-1-3-15(17)21/h1-10H,(H,25,26)
InChIKey
UYEBLLREPLJTGX-UHFFFAOYSA-N
Compound name
1-(2-fluorophenyl)-6-(4-fluorophenyl)pyrazolo[3,4-b]pyridine-4-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

351.08194 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 352.08922 179.5
[M+Na]+ 374.07116 191.4
[M-H]- 350.07466 184.0
[M+NH4]+ 369.11576 190.4
[M+K]+ 390.04510 183.5
[M+H-H2O]+ 334.07920 167.4
[M+HCOO]- 396.08014 197.1
[M+CH3COO]- 410.09579 189.9
[M+Na-2H]- 372.05661 181.8
[M]+ 351.08139 179.8
[M]- 351.08249 179.8
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.