CID 16784646

6-cyclopropyl-1-[(5-methylfuran-2-yl)methyl]-1h-pyrazolo[3,4-b]pyridine-4-carboxylic acid

Structural Information

Molecular Formula
C16H15N3O3
SMILES
CC1=CC=C(O1)CN2C3=C(C=N2)C(=CC(=N3)C4CC4)C(=O)O
InChI
InChI=1S/C16H15N3O3/c1-9-2-5-11(22-9)8-19-15-13(7-17-19)12(16(20)21)6-14(18-15)10-3-4-10/h2,5-7,10H,3-4,8H2,1H3,(H,20,21)
InChIKey
KPDPUJVMUXNWBA-UHFFFAOYSA-N
Compound name
6-cyclopropyl-1-[(5-methylfuran-2-yl)methyl]pyrazolo[3,4-b]pyridine-4-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

297.11133 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 298.11861 170.9
[M+Na]+ 320.10055 186.1
[M+NH4]+ 315.14515 178.2
[M+K]+ 336.07449 185.3
[M-H]- 296.10405 181.6
[M+Na-2H]- 318.08600 178.8
[M]+ 297.11078 177.2
[M]- 297.11188 177.2
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.