CID 135600425

1-cyclopentyl-4-methyl-1h,6h,7h-pyrazolo[3,4-b]pyridin-6-one

Structural Information

Molecular Formula
C12H15N3O
SMILES
CC1=CC(=O)NC2=C1C=NN2C3CCCC3
InChI
InChI=1S/C12H15N3O/c1-8-6-11(16)14-12-10(8)7-13-15(12)9-4-2-3-5-9/h6-7,9H,2-5H2,1H3,(H,14,16)
InChIKey
OWTCGDKEYSLZEF-UHFFFAOYSA-N
Compound name
1-cyclopentyl-4-methyl-7H-pyrazolo[3,4-b]pyridin-6-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

217.1215 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 218.12878 147.6
[M+Na]+ 240.11072 157.9
[M-H]- 216.11422 151.0
[M+NH4]+ 235.15532 166.4
[M+K]+ 256.08466 153.2
[M+H-H2O]+ 200.11876 139.8
[M+HCOO]- 262.11970 167.6
[M+CH3COO]- 276.13535 160.3
[M+Na-2H]- 238.09617 150.3
[M]+ 217.12095 146.7
[M]- 217.12205 146.7
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

No patent data available for this compound.