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]+ 246.009856 149.4
[M+Na]+ 267.991798 163.7
[M-H]- 243.995304 150.6
[M+NH4]+ 263.036403 167.4
[M+K]+ 283.965738 158.0
[M+H-H2O]+ 227.999840 144.2
[M+HCOO]- 290.000781 160.4
[M+CH3COO]- 304.016431 185.0
[M+Na-2H]- 265.977246 153.9
[M]+ 245.00203142 155.7
[M]- 245.00312858 155.7
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

Patent stripe

No patent data available for this compound.