CID 164047

3-(ethylsulfonyl)pyridine-2-sulfonamide

Structural Information

Molecular Formula
C7H10N2O4S2
SMILES
CCS(=O)(=O)C1=C(N=CC=C1)S(=O)(=O)N
InChI
InChI=1S/C7H10N2O4S2/c1-2-14(10,11)6-4-3-5-9-7(6)15(8,12)13/h3-5H,2H2,1H3,(H2,8,12,13)
InChIKey
ZVAJJLYQUHJURI-UHFFFAOYSA-N
Compound name
3-ethylsulfonylpyridine-2-sulfonamide
Related CIDs

2D Structure

compound 2d structure
6
Annotation Hits

0
References

113
Patents

250.0082 Da
Monoisotopic Mass

-0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 251.01548 151.6
[M+Na]+ 272.99742 160.7
[M-H]- 249.00092 153.5
[M+NH4]+ 268.04202 167.2
[M+K]+ 288.97136 156.0
[M+H-H2O]+ 233.00546 145.3
[M+HCOO]- 295.00640 163.2
[M+CH3COO]- 309.02205 187.7
[M+Na-2H]- 270.98287 155.9
[M]+ 250.00765 154.1
[M]- 250.00875 154.1
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.