CID 75458068

1-methyl-1h-pyrazolo[3,4-b]pyridine-5-sulfonamide

Structural Information

Molecular Formula
C7H8N4O2S
SMILES
CN1C2=NC=C(C=C2C=N1)S(=O)(=O)N
InChI
InChI=1S/C7H8N4O2S/c1-11-7-5(3-10-11)2-6(4-9-7)14(8,12)13/h2-4H,1H3,(H2,8,12,13)
InChIKey
KQQRJZILXTYCMC-UHFFFAOYSA-N
Compound name
1-methylpyrazolo[3,4-b]pyridine-5-sulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

212.0368 Da
Monoisotopic Mass

-0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 213.044076 142.7
[M+Na]+ 235.026018 155.6
[M-H]- 211.029524 144.6
[M+NH4]+ 230.070623 160.9
[M+K]+ 250.999958 151.9
[M+H-H2O]+ 195.034060 136.4
[M+HCOO]- 257.035001 160.6
[M+CH3COO]- 271.050651 183.9
[M+Na-2H]- 233.011466 149.0
[M]+ 212.03625142 146.8
[M]- 212.03734858 146.8
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.