CID 16227654

1-benzyl-6-phenyl-1h-pyrazolo[3,4-b]pyridine-4-carboxylic acid

Structural Information

Molecular Formula
C20H15N3O2
SMILES
C1=CC=C(C=C1)CN2C3=C(C=N2)C(=CC(=N3)C4=CC=CC=C4)C(=O)O
InChI
InChI=1S/C20H15N3O2/c24-20(25)16-11-18(15-9-5-2-6-10-15)22-19-17(16)12-21-23(19)13-14-7-3-1-4-8-14/h1-12H,13H2,(H,24,25)
InChIKey
QZVIHAPHTFLCEK-UHFFFAOYSA-N
Compound name
1-benzyl-6-phenylpyrazolo[3,4-b]pyridine-4-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

329.11642 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 330.12370 177.1
[M+Na]+ 352.10564 186.5
[M-H]- 328.10914 183.3
[M+NH4]+ 347.15024 188.3
[M+K]+ 368.07958 179.5
[M+H-H2O]+ 312.11368 166.3
[M+HCOO]- 374.11462 196.4
[M+CH3COO]- 388.13027 187.5
[M+Na-2H]- 350.09109 181.6
[M]+ 329.11587 178.6
[M]- 329.11697 178.6
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.