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 151.2
[M+Na]+ 267.99180 165.6
[M+NH4]+ 263.03640 158.6
[M+K]+ 283.96574 159.5
[M-H]- 243.99530 150.8
[M+Na-2H]- 265.97725 156.2
[M]+ 245.00203 153.9
[M]- 245.00313 153.9
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