CID 121552678

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

Structural Information

Molecular Formula
C13H10ClN3O2S
SMILES
CC1=NN(C2=C1C=C(C=N2)S(=O)(=O)Cl)C3=CC=CC=C3
InChI
InChI=1S/C13H10ClN3O2S/c1-9-12-7-11(20(14,18)19)8-15-13(12)17(16-9)10-5-3-2-4-6-10/h2-8H,1H3
InChIKey
DVIFUBNCZGWRES-UHFFFAOYSA-N
Compound name
3-methyl-1-phenylpyrazolo[3,4-b]pyridine-5-sulfonyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

307.01822 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 308.02550 167.0
[M+Na]+ 330.00744 181.1
[M-H]- 306.01094 172.5
[M+NH4]+ 325.05204 182.7
[M+K]+ 345.98138 174.6
[M+H-H2O]+ 290.01548 159.8
[M+HCOO]- 352.01642 179.3
[M+CH3COO]- 366.03207 179.7
[M+Na-2H]- 327.99289 171.8
[M]+ 307.01767 174.6
[M]- 307.01877 174.6
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

No patent data available for this compound.