CID 7064016

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

2D Structure

compound 2d structure
1
Annotation Hits

3
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 177.0
[M+Na]+ 353.10088 186.8
[M-H]- 329.10438 182.0
[M+NH4]+ 348.14548 186.8
[M+K]+ 369.07482 179.6
[M+H-H2O]+ 313.10892 165.6
[M+HCOO]- 375.10986 195.2
[M+CH3COO]- 389.12551 187.1
[M+Na-2H]- 351.08633 182.0
[M]+ 330.11111 178.7
[M]- 330.11221 178.7
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.