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 162.3
[M+Na]+ 271.02602 172.8
[M-H]- 247.02952 164.7
[M+NH4]+ 266.07062 176.1
[M+K]+ 286.99996 168.0
[M+H-H2O]+ 231.03406 147.9
[M+HCOO]- 293.03500 176.0
[M+CH3COO]- 307.05065 198.3
[M+Na-2H]- 269.01147 165.5
[M]+ 248.03625 157.1
[M]- 248.03735 157.1
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.