CID 232710

Pyridine-3-sulfonamide

Structural Information

Molecular Formula
C5H6N2O2S
SMILES
C1=CC(=CN=C1)S(=O)(=O)N
InChI
InChI=1S/C5H6N2O2S/c6-10(8,9)5-2-1-3-7-4-5/h1-4H,(H2,6,8,9)
InChIKey
NKFLEFWUYAUDJV-UHFFFAOYSA-N
Compound name
pyridine-3-sulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

3048
Patents

158.015 Da
Monoisotopic Mass

-0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 159.02228 128.0
[M+Na]+ 181.00422 137.3
[M-H]- 157.00772 130.5
[M+NH4]+ 176.04882 147.4
[M+K]+ 196.97816 134.7
[M+H-H2O]+ 141.01226 122.0
[M+HCOO]- 203.01320 146.9
[M+CH3COO]- 217.02885 172.5
[M+Na-2H]- 178.98967 134.8
[M]+ 158.01445 128.1
[M]- 158.01555 128.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe