CID 16792134

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

Structural Information

Molecular Formula
C17H15N3O2
SMILES
C1CC1C2=NC3=C(C=NN3CC4=CC=CC=C4)C(=C2)C(=O)O
InChI
InChI=1S/C17H15N3O2/c21-17(22)13-8-15(12-6-7-12)19-16-14(13)9-18-20(16)10-11-4-2-1-3-5-11/h1-5,8-9,12H,6-7,10H2,(H,21,22)
InChIKey
HQRULNZCJUTCAP-UHFFFAOYSA-N
Compound name
1-benzyl-6-cyclopropylpyrazolo[3,4-b]pyridine-4-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

293.11642 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 294.12370 171.6
[M+Na]+ 316.10564 188.1
[M+NH4]+ 311.15024 179.5
[M+K]+ 332.07958 183.7
[M-H]- 292.10914 182.0
[M+Na-2H]- 314.09109 182.0
[M]+ 293.11587 178.1
[M]- 293.11697 178.1
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.