CID 16227809

1-benzyl-1h-pyrazolo[3,4-b]pyridine-5-carboxylic acid

Structural Information

Molecular Formula
C14H11N3O2
SMILES
C1=CC=C(C=C1)CN2C3=NC=C(C=C3C=N2)C(=O)O
InChI
InChI=1S/C14H11N3O2/c18-14(19)12-6-11-8-16-17(13(11)15-7-12)9-10-4-2-1-3-5-10/h1-8H,9H2,(H,18,19)
InChIKey
AGYISJXWVIAJSA-UHFFFAOYSA-N
Compound name
1-benzylpyrazolo[3,4-b]pyridine-5-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

253.08513 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 254.09241 155.4
[M+Na]+ 276.07435 170.5
[M+NH4]+ 271.11895 162.7
[M+K]+ 292.04829 165.6
[M-H]- 252.07785 157.6
[M+Na-2H]- 274.05980 163.7
[M]+ 253.08458 158.1
[M]- 253.08568 158.1
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.