CID 16227381

924213-53-6

Structural Information

Molecular Formula
C17H17N3O2
SMILES
CC1=CC=C(C=C1)C2=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)12-6-4-11(3)5-7-12/h4-10H,1-3H3,(H,21,22)
InChIKey
JFJBTWMEPMYGPG-UHFFFAOYSA-N
Compound name
6-(4-methylphenyl)-1-propan-2-ylpyrazolo[5,4-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]+ 296.139356 169.3
[M+Na]+ 318.121298 179.6
[M-H]- 294.124804 173.0
[M+NH4]+ 313.165903 183.0
[M+K]+ 334.095238 174.4
[M+H-H2O]+ 278.129340 160.4
[M+HCOO]- 340.130281 187.7
[M+CH3COO]- 354.145931 180.6
[M+Na-2H]- 316.106746 171.4
[M]+ 295.13153142 172.6
[M]- 295.13262858 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.