CID 5305928

4,6-dimethyl-1h-pyrazolo[3,4-b]pyridine-3-sulfonyl chloride

Structural Information

Molecular Formula
C8H8ClN3O2S
SMILES
CC1=CC(=NC2=NNC(=C12)S(=O)(=O)Cl)C
InChI
InChI=1S/C8H8ClN3O2S/c1-4-3-5(2)10-7-6(4)8(12-11-7)15(9,13)14/h3H,1-2H3,(H,10,11,12)
InChIKey
LLBLPNMGLNTMJX-UHFFFAOYSA-N
Compound name
4,6-dimethyl-2H-pyrazolo[3,4-b]pyridine-3-sulfonyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

245.00258 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 246.00986 151.3
[M+Na]+ 267.99180 165.2
[M+NH4]+ 263.03640 158.5
[M+K]+ 283.96574 159.4
[M-H]- 243.99530 150.4
[M+Na-2H]- 265.97725 155.8
[M]+ 245.00203 153.7
[M]- 245.00313 153.7
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

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No patent data available for this compound.