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[3,4-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]+ 246.00986 149.1
[M+Na]+ 267.99180 163.9
[M-H]- 243.99530 151.7
[M+NH4]+ 263.03640 167.8
[M+K]+ 283.96574 159.1
[M+H-H2O]+ 227.99984 143.6
[M+HCOO]- 290.00078 161.6
[M+CH3COO]- 304.01643 187.5
[M+Na-2H]- 265.97725 154.0
[M]+ 245.00203 157.3
[M]- 245.00313 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