CID 16785771

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

Structural Information

Molecular Formula
C13H15N3O3
SMILES
CC1=NN(C2=C1C(=CC(=N2)C3CC3)C(=O)O)CCO
InChI
InChI=1S/C13H15N3O3/c1-7-11-9(13(18)19)6-10(8-2-3-8)14-12(11)16(15-7)4-5-17/h6,8,17H,2-5H2,1H3,(H,18,19)
InChIKey
GUSVYNQNXQJZJV-UHFFFAOYSA-N
Compound name
6-cyclopropyl-1-(2-hydroxyethyl)-3-methylpyrazolo[3,4-b]pyridine-4-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

261.11133 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 262.11861 161.8
[M+Na]+ 284.10055 175.5
[M+NH4]+ 279.14515 168.3
[M+K]+ 300.07449 173.6
[M-H]- 260.10405 168.8
[M+Na-2H]- 282.08600 168.2
[M]+ 261.11078 166.6
[M]- 261.11188 166.6
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.