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 149.4
[M+Na]+ 267.99180 163.7
[M-H]- 243.99530 150.6
[M+NH4]+ 263.03640 167.4
[M+K]+ 283.96574 158.0
[M+H-H2O]+ 227.99984 144.2
[M+HCOO]- 290.00078 160.4
[M+CH3COO]- 304.01643 185.0
[M+Na-2H]- 265.97725 153.9
[M]+ 245.00203 155.7
[M]- 245.00313 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.