CID 47002832

1,3-dimethyl-1h-pyrazolo[3,4-b]pyridine-5-sulfonyl chloride

Structural Information

Molecular Formula
C8H8ClN3O2S
SMILES
CC1=NN(C2=C1C=C(C=N2)S(=O)(=O)Cl)C
InChI
InChI=1S/C8H8ClN3O2S/c1-5-7-3-6(15(9,13)14)4-10-8(7)12(2)11-5/h3-4H,1-2H3
InChIKey
MOLOPKIPWIMCPZ-UHFFFAOYSA-N
Compound name
1,3-dimethylpyrazolo[5,4-b]pyridine-5-sulfonyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

245.00258 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 246.009856 149.1
[M+Na]+ 267.991798 163.9
[M-H]- 243.995304 151.7
[M+NH4]+ 263.036403 167.8
[M+K]+ 283.965738 159.1
[M+H-H2O]+ 227.999840 143.6
[M+HCOO]- 290.000781 161.6
[M+CH3COO]- 304.016431 187.5
[M+Na-2H]- 265.977246 154.0
[M]+ 245.00203142 157.3
[M]- 245.00312858 157.3
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