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 172.4
[M+Na]+ 316.10564 183.8
[M-H]- 292.10914 178.9
[M+NH4]+ 311.15024 181.0
[M+K]+ 332.07958 176.5
[M+H-H2O]+ 276.11368 163.2
[M+HCOO]- 338.11462 192.2
[M+CH3COO]- 352.13027 183.1
[M+Na-2H]- 314.09109 175.8
[M]+ 293.11587 176.4
[M]- 293.11697 176.4
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.