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[5,4-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]+ 308.025496 167.0
[M+Na]+ 330.007438 181.1
[M-H]- 306.010944 172.5
[M+NH4]+ 325.052043 182.7
[M+K]+ 345.981378 174.6
[M+H-H2O]+ 290.015480 159.8
[M+HCOO]- 352.016421 179.3
[M+CH3COO]- 366.032071 179.7
[M+Na-2H]- 327.992886 171.8
[M]+ 307.01767142 174.6
[M]- 307.01876858 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.