CID 16227263

924249-82-1

Structural Information

Molecular Formula
C16H17N3O3
SMILES
CC1=CC(=C(O1)C)C2=NC3=C(C=NN3C(C)C)C(=C2)C(=O)O
InChI
InChI=1S/C16H17N3O3/c1-8(2)19-15-13(7-17-19)12(16(20)21)6-14(18-15)11-5-9(3)22-10(11)4/h5-8H,1-4H3,(H,20,21)
InChIKey
RRQFGCODIWNTQW-UHFFFAOYSA-N
Compound name
6-(2,5-dimethylfuran-3-yl)-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

299.12698 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 300.134256 169.2
[M+Na]+ 322.116198 180.7
[M-H]- 298.119704 174.5
[M+NH4]+ 317.160803 183.7
[M+K]+ 338.090138 177.8
[M+H-H2O]+ 282.124240 162.0
[M+HCOO]- 344.125181 188.1
[M+CH3COO]- 358.140831 204.2
[M+Na-2H]- 320.101646 168.8
[M]+ 299.12643142 175.6
[M]- 299.12752858 175.6
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.