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[5,4-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]+ 294.123696 172.4
[M+Na]+ 316.105638 183.8
[M-H]- 292.109144 178.9
[M+NH4]+ 311.150243 181.0
[M+K]+ 332.079578 176.5
[M+H-H2O]+ 276.113680 163.2
[M+HCOO]- 338.114621 192.2
[M+CH3COO]- 352.130271 183.1
[M+Na-2H]- 314.091086 175.8
[M]+ 293.11587142 176.4
[M]- 293.11696858 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.