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 170.6
[M+Na]+ 320.10055 183.2
[M-H]- 296.10405 178.6
[M+NH4]+ 315.14515 180.0
[M+K]+ 336.07449 177.8
[M+H-H2O]+ 280.10859 163.0
[M+HCOO]- 342.10953 190.4
[M+CH3COO]- 356.12518 182.4
[M+Na-2H]- 318.08600 171.7
[M]+ 297.11078 177.7
[M]- 297.11188 177.7
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.