CID 137218174

6-chloro-1,3-dimethyl-1h-pyrazolo[3,4-b]pyridin-4-ol

Structural Information

Molecular Formula
C8H8ClN3O
SMILES
CC1=NN(C2=C1C(=O)C=C(N2)Cl)C
InChI
InChI=1S/C8H8ClN3O/c1-4-7-5(13)3-6(9)10-8(7)12(2)11-4/h3H,1-2H3,(H,10,13)
InChIKey
MYQAKDJIPSBOJQ-UHFFFAOYSA-N
Compound name
6-chloro-1,3-dimethyl-7H-pyrazolo[3,4-b]pyridin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

197.03558 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 198.04286 137.2
[M+Na]+ 220.02480 152.9
[M+NH4]+ 215.06940 145.1
[M+K]+ 235.99874 147.9
[M-H]- 196.02830 137.5
[M+Na-2H]- 218.01025 143.2
[M]+ 197.03503 139.7
[M]- 197.03613 139.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

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No literature data available for this compound.

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No patent data available for this compound.