CID 16791567

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

Structural Information

Molecular Formula
C15H17N3O2
SMILES
CC(C1CC1)N2C3=C(C=N2)C(=CC(=N3)C4CC4)C(=O)O
InChI
InChI=1S/C15H17N3O2/c1-8(9-2-3-9)18-14-12(7-16-18)11(15(19)20)6-13(17-14)10-4-5-10/h6-10H,2-5H2,1H3,(H,19,20)
InChIKey
FUBSOULSLMXLJM-UHFFFAOYSA-N
Compound name
6-cyclopropyl-1-(1-cyclopropylethyl)pyrazolo[5,4-b]pyridine-4-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

271.13208 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 272.139356 178.5
[M+Na]+ 294.121298 187.7
[M-H]- 270.124804 184.1
[M+NH4]+ 289.165903 182.3
[M+K]+ 310.095238 181.6
[M+H-H2O]+ 254.129340 171.3
[M+HCOO]- 316.130281 194.2
[M+CH3COO]- 330.145931 186.4
[M+Na-2H]- 292.106746 177.5
[M]+ 271.13153142 183.2
[M]- 271.13262858 183.2
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