CID 25247511

1011399-69-1

Structural Information

Molecular Formula
C20H14FN3O2
SMILES
CC1=CC=C(C=C1)C2=NC3=C(C=NN3C4=CC=CC=C4F)C(=C2)C(=O)O
InChI
InChI=1S/C20H14FN3O2/c1-12-6-8-13(9-7-12)17-10-14(20(25)26)15-11-22-24(19(15)23-17)18-5-3-2-4-16(18)21/h2-11H,1H3,(H,25,26)
InChIKey
XPPIMQCYNPKSOD-UHFFFAOYSA-N
Compound name
1-(2-fluorophenyl)-6-(4-methylphenyl)pyrazolo[3,4-b]pyridine-4-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

347.107 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 348.11428 181.2
[M+Na]+ 370.09622 192.6
[M-H]- 346.09972 186.9
[M+NH4]+ 365.14082 192.4
[M+K]+ 386.07016 185.1
[M+H-H2O]+ 330.10426 169.9
[M+HCOO]- 392.10520 199.5
[M+CH3COO]- 406.12085 191.8
[M+Na-2H]- 368.08167 183.6
[M]+ 347.10645 182.8
[M]- 347.10755 182.8
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.