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[5,4-b]pyridine-4-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

14
Patents

245.11642 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 246.123696 162.4
[M+Na]+ 268.105638 174.5
[M-H]- 244.109144 166.1
[M+NH4]+ 263.150243 173.6
[M+K]+ 284.079578 168.2
[M+H-H2O]+ 228.113680 154.3
[M+HCOO]- 290.114621 182.1
[M+CH3COO]- 304.130271 173.9
[M+Na-2H]- 266.091086 165.6
[M]+ 245.11587142 167.8
[M]- 245.11696858 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