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[3,4-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]+ 300.13426 169.2
[M+Na]+ 322.11620 180.7
[M-H]- 298.11970 174.5
[M+NH4]+ 317.16080 183.7
[M+K]+ 338.09014 177.8
[M+H-H2O]+ 282.12424 162.0
[M+HCOO]- 344.12518 188.1
[M+CH3COO]- 358.14083 204.2
[M+Na-2H]- 320.10165 168.8
[M]+ 299.12643 175.6
[M]- 299.12753 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.