CID 16227655

1-[(2-chlorophenyl)methyl]-6-phenyl-1h-pyrazolo[3,4-b]pyridine-4-carboxylic acid

Structural Information

Molecular Formula
C20H14ClN3O2
SMILES
C1=CC=C(C=C1)C2=NC3=C(C=NN3CC4=CC=CC=C4Cl)C(=C2)C(=O)O
InChI
InChI=1S/C20H14ClN3O2/c21-17-9-5-4-8-14(17)12-24-19-16(11-22-24)15(20(25)26)10-18(23-19)13-6-2-1-3-7-13/h1-11H,12H2,(H,25,26)
InChIKey
OZTJJABGVGKIQS-UHFFFAOYSA-N
Compound name
1-[(2-chlorophenyl)methyl]-6-phenylpyrazolo[3,4-b]pyridine-4-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

363.07745 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 364.08473 183.7
[M+Na]+ 386.06667 194.7
[M-H]- 362.07017 189.9
[M+NH4]+ 381.11127 194.7
[M+K]+ 402.04061 186.4
[M+H-H2O]+ 346.07471 173.1
[M+HCOO]- 408.07565 198.3
[M+CH3COO]- 422.09130 194.0
[M+Na-2H]- 384.05212 186.9
[M]+ 363.07690 188.0
[M]- 363.07800 188.0
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.