CID 250590

N-butyl-n-(phenylsulfonyl)benzenesulfonamide

Structural Information

Molecular Formula
C16H19NO4S2
SMILES
CCCCN(S(=O)(=O)C1=CC=CC=C1)S(=O)(=O)C2=CC=CC=C2
InChI
InChI=1S/C16H19NO4S2/c1-2-3-14-17(22(18,19)15-10-6-4-7-11-15)23(20,21)16-12-8-5-9-13-16/h4-13H,2-3,14H2,1H3
InChIKey
MISGONGZKDJPCT-UHFFFAOYSA-N
Compound name
N-(benzenesulfonyl)-N-butylbenzenesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

8
References

0
Patents

353.07556 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 354.08284 181.1
[M+Na]+ 376.06478 187.3
[M-H]- 352.06828 188.1
[M+NH4]+ 371.10938 194.2
[M+K]+ 392.03872 182.4
[M+H-H2O]+ 336.07282 173.0
[M+HCOO]- 398.07376 194.0
[M+CH3COO]- 412.08941 210.1
[M+Na-2H]- 374.05023 185.5
[M]+ 353.07501 185.9
[M]- 353.07611 185.9
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

No patent data available for this compound.