CID 18766403

4-cyanopyridine-2-sulfonamide

Structural Information

Molecular Formula
C6H5N3O2S
SMILES
C1=CN=C(C=C1C#N)S(=O)(=O)N
InChI
InChI=1S/C6H5N3O2S/c7-4-5-1-2-9-6(3-5)12(8,10)11/h1-3H,(H2,8,10,11)
InChIKey
RLKJGADWGKBXSV-UHFFFAOYSA-N
Compound name
4-cyanopyridine-2-sulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

22
Patents

183.01025 Da
Monoisotopic Mass

-0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 184.017526 143.3
[M+Na]+ 205.999468 154.3
[M-H]- 182.002974 145.7
[M+NH4]+ 201.044073 159.9
[M+K]+ 221.973408 151.9
[M+H-H2O]+ 166.007510 130.5
[M+HCOO]- 228.008451 158.1
[M+CH3COO]- 242.024101 190.6
[M+Na-2H]- 203.984916 147.8
[M]+ 183.00970142 138.8
[M]- 183.01079858 138.8
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

patents stripe