CID 16227431

924243-72-1

Structural Information

Molecular Formula
C17H17N3O2
SMILES
CC1=CC=CC=C1C2=NC3=C(C=NN3C(C)C)C(=C2)C(=O)O
InChI
InChI=1S/C17H17N3O2/c1-10(2)20-16-14(9-18-20)13(17(21)22)8-15(19-16)12-7-5-4-6-11(12)3/h4-10H,1-3H3,(H,21,22)
InChIKey
GUNHHKDGOOZCOL-UHFFFAOYSA-N
Compound name
6-(2-methylphenyl)-1-propan-2-ylpyrazolo[3,4-b]pyridine-4-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

295.13208 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 296.13936 169.3
[M+Na]+ 318.12130 179.6
[M-H]- 294.12480 173.0
[M+NH4]+ 313.16590 183.0
[M+K]+ 334.09524 174.4
[M+H-H2O]+ 278.12934 160.4
[M+HCOO]- 340.13028 187.7
[M+CH3COO]- 354.14593 180.6
[M+Na-2H]- 316.10675 171.4
[M]+ 295.13153 172.6
[M]- 295.13263 172.6
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.