CID 135426862

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

Structural Information

Molecular Formula
C8H9N3O
SMILES
CC1=CC(=O)C2=C(N1)N(N=C2)C
InChI
InChI=1S/C8H9N3O/c1-5-3-7(12)6-4-9-11(2)8(6)10-5/h3-4H,1-2H3,(H,10,12)
InChIKey
XIJVYDRFAKVCOH-UHFFFAOYSA-N
Compound name
1,6-dimethyl-7H-pyrazolo[3,4-b]pyridin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

163.07455 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 164.08183 131.3
[M+Na]+ 186.06377 144.3
[M-H]- 162.06727 132.0
[M+NH4]+ 181.10837 151.1
[M+K]+ 202.03771 140.3
[M+H-H2O]+ 146.07181 124.5
[M+HCOO]- 208.07275 153.2
[M+CH3COO]- 222.08840 145.7
[M+Na-2H]- 184.04922 138.8
[M]+ 163.07400 133.5
[M]- 163.07510 133.5
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