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

119
Patents

250.0082 Da
Monoisotopic Mass

-0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 251.015476 151.6
[M+Na]+ 272.997418 160.7
[M-H]- 249.000924 153.5
[M+NH4]+ 268.042023 167.2
[M+K]+ 288.971358 156.0
[M+H-H2O]+ 233.005460 145.3
[M+HCOO]- 295.006401 163.2
[M+CH3COO]- 309.022051 187.7
[M+Na-2H]- 270.982866 155.9
[M]+ 250.00765142 154.1
[M]- 250.00874858 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

literature stripe

Patent stripe

patents stripe