CID 2525992

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

Structural Information

Molecular Formula
C13H15N3O2
SMILES
CC(C)N1C2=C(C=N1)C(=CC(=N2)C3CC3)C(=O)O
InChI
InChI=1S/C13H15N3O2/c1-7(2)16-12-10(6-14-16)9(13(17)18)5-11(15-12)8-3-4-8/h5-8H,3-4H2,1-2H3,(H,17,18)
InChIKey
YZDILIKIHKVAHO-UHFFFAOYSA-N
Compound name
6-cyclopropyl-1-propan-2-ylpyrazolo[3,4-b]pyridine-4-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

8
References

39
Patents

245.11642 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 246.12370 161.6
[M+Na]+ 268.10564 173.4
[M-H]- 244.10914 165.5
[M+NH4]+ 263.15024 172.7
[M+K]+ 284.07958 167.5
[M+H-H2O]+ 228.11368 153.8
[M+HCOO]- 290.11462 180.4
[M+CH3COO]- 304.13027 195.9
[M+Na-2H]- 266.09109 163.8
[M]+ 245.11587 166.4
[M]- 245.11697 166.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe