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[3,4-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]+ 272.13936 178.5
[M+Na]+ 294.12130 187.7
[M-H]- 270.12480 184.1
[M+NH4]+ 289.16590 182.3
[M+K]+ 310.09524 181.6
[M+H-H2O]+ 254.12934 171.3
[M+HCOO]- 316.13028 194.2
[M+CH3COO]- 330.14593 186.4
[M+Na-2H]- 292.10675 177.5
[M]+ 271.13153 183.2
[M]- 271.13263 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