CID 16227656

6-phenyl-1-(pyridin-3-ylmethyl)-1h-pyrazolo[3,4-b]pyridine-4-carboxylic acid

Structural Information

Molecular Formula
C19H14N4O2
SMILES
C1=CC=C(C=C1)C2=NC3=C(C=NN3CC4=CN=CC=C4)C(=C2)C(=O)O
InChI
InChI=1S/C19H14N4O2/c24-19(25)15-9-17(14-6-2-1-3-7-14)22-18-16(15)11-21-23(18)12-13-5-4-8-20-10-13/h1-11H,12H2,(H,24,25)
InChIKey
COGYOLZVCQRYIJ-UHFFFAOYSA-N
Compound name
6-phenyl-1-(pyridin-3-ylmethyl)pyrazolo[3,4-b]pyridine-4-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

330.11166 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 331.11894 176.8
[M+Na]+ 353.10088 193.8
[M+NH4]+ 348.14548 183.5
[M+K]+ 369.07482 187.8
[M-H]- 329.10438 180.9
[M+Na-2H]- 351.08633 187.1
[M]+ 330.11111 180.4
[M]- 330.11221 180.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.