CID 19616514

6-cyclopropyl-1-propyl-1h-pyrazolo[3,4-b]pyridine-4-carboxylic acid

Structural Information

Molecular Formula
C13H15N3O2
SMILES
CCCN1C2=C(C=N1)C(=CC(=N2)C3CC3)C(=O)O
InChI
InChI=1S/C13H15N3O2/c1-2-5-16-12-10(7-14-16)9(13(17)18)6-11(15-12)8-3-4-8/h6-8H,2-5H2,1H3,(H,17,18)
InChIKey
AMFWYYBVTMGMSH-UHFFFAOYSA-N
Compound name
6-cyclopropyl-1-propylpyrazolo[3,4-b]pyridine-4-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

13
Patents

245.11642 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 246.12370 162.4
[M+Na]+ 268.10564 174.5
[M-H]- 244.10914 166.1
[M+NH4]+ 263.15024 173.6
[M+K]+ 284.07958 168.2
[M+H-H2O]+ 228.11368 154.3
[M+HCOO]- 290.11462 182.1
[M+CH3COO]- 304.13027 173.9
[M+Na-2H]- 266.09109 165.6
[M]+ 245.11587 167.8
[M]- 245.11697 167.8
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

patents stripe