CID 135447117

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

Structural Information

Molecular Formula
C9H11N3O
SMILES
CC1=CC(=O)NC2=C1C(=NN2C)C
InChI
InChI=1S/C9H11N3O/c1-5-4-7(13)10-9-8(5)6(2)11-12(9)3/h4H,1-3H3,(H,10,13)
InChIKey
CYLGJHAAHGAZHV-UHFFFAOYSA-N
Compound name
1,3,4-trimethyl-7H-pyrazolo[3,4-b]pyridin-6-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

3
Patents

177.09021 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 178.09749 136.4
[M+Na]+ 200.07943 151.1
[M+NH4]+ 195.12403 144.0
[M+K]+ 216.05337 146.8
[M-H]- 176.08293 136.6
[M+Na-2H]- 198.06488 142.0
[M]+ 177.08966 138.5
[M]- 177.09076 138.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe