CID 19241

N-butylbenzenesulfonamide

Structural Information

Molecular Formula
C10H15NO2S
SMILES
CCCCNS(=O)(=O)C1=CC=CC=C1
InChI
InChI=1S/C10H15NO2S/c1-2-3-9-11-14(12,13)10-7-5-4-6-8-10/h4-8,11H,2-3,9H2,1H3
InChIKey
IPRJXAGUEGOFGG-UHFFFAOYSA-N
Compound name
N-butylbenzenesulfonamide
Related CIDs

2D Structure

compound 2d structure
6
Annotation Hits

44
References

9955
Patents

213.08235 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 214.08963 145.4
[M+Na]+ 236.07157 152.5
[M-H]- 212.07507 149.0
[M+NH4]+ 231.11617 164.3
[M+K]+ 252.04551 149.3
[M+H-H2O]+ 196.07961 139.3
[M+HCOO]- 258.08055 164.6
[M+CH3COO]- 272.09620 185.7
[M+Na-2H]- 234.05702 150.8
[M]+ 213.08180 148.0
[M]- 213.08290 148.0
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