CID 135600424

1-(butan-2-yl)-4-methyl-1h,6h,7h-pyrazolo[3,4-b]pyridin-6-one

Structural Information

Molecular Formula
C11H15N3O
SMILES
CCC(C)N1C2=C(C=N1)C(=CC(=O)N2)C
InChI
InChI=1S/C11H15N3O/c1-4-8(3)14-11-9(6-12-14)7(2)5-10(15)13-11/h5-6,8H,4H2,1-3H3,(H,13,15)
InChIKey
BLWGJZHWFQZNJY-UHFFFAOYSA-N
Compound name
1-butan-2-yl-4-methyl-7H-pyrazolo[3,4-b]pyridin-6-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

205.1215 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 206.12878 145.3
[M+Na]+ 228.11072 156.7
[M-H]- 204.11422 145.6
[M+NH4]+ 223.15532 163.3
[M+K]+ 244.08466 152.5
[M+H-H2O]+ 188.11876 138.1
[M+HCOO]- 250.11970 165.2
[M+CH3COO]- 264.13535 185.7
[M+Na-2H]- 226.09617 150.0
[M]+ 205.12095 147.9
[M]- 205.12205 147.9
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.