CID 43532756

3-cyano-n-(1h-pyrazol-4-yl)benzene-1-sulfonamide

Structural Information

Molecular Formula
C10H8N4O2S
SMILES
C1=CC(=CC(=C1)S(=O)(=O)NC2=CNN=C2)C#N
InChI
InChI=1S/C10H8N4O2S/c11-5-8-2-1-3-10(4-8)17(15,16)14-9-6-12-13-7-9/h1-4,6-7,14H,(H,12,13)
InChIKey
LWQORVBOQCKBGK-UHFFFAOYSA-N
Compound name
3-cyano-N-(1H-pyrazol-4-yl)benzenesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

248.0368 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 249.04408 152.2
[M+Na]+ 271.02602 162.4
[M+NH4]+ 266.07062 155.2
[M+K]+ 286.99996 154.5
[M-H]- 247.02952 146.0
[M+Na-2H]- 269.01147 156.0
[M]+ 248.03625 151.2
[M]- 248.03735 151.2
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.