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 184.1
[M+Na]+ 386.06667 202.5
[M+NH4]+ 381.11127 191.8
[M+K]+ 402.04061 195.1
[M-H]- 362.07017 189.3
[M+Na-2H]- 384.05212 194.4
[M]+ 363.07690 188.7
[M]- 363.07800 188.7
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.