CID 135600424

1822685-93-7

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 145.2
[M+Na]+ 228.11072 158.7
[M+NH4]+ 223.15532 152.3
[M+K]+ 244.08466 154.6
[M-H]- 204.11422 145.0
[M+Na-2H]- 226.09617 150.2
[M]+ 205.12095 146.9
[M]- 205.12205 146.9
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.