CID 3821576

4-ethyl-n-pentylbenzene-1-sulfonamide

Structural Information

Molecular Formula
C13H21NO2S
SMILES
CCCCCNS(=O)(=O)C1=CC=C(C=C1)CC
InChI
InChI=1S/C13H21NO2S/c1-3-5-6-11-14-17(15,16)13-9-7-12(4-2)8-10-13/h7-10,14H,3-6,11H2,1-2H3
InChIKey
HYFKRSGVIZWFBL-UHFFFAOYSA-N
Compound name
4-ethyl-N-pentylbenzenesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

255.1293 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 256.136576 158.3
[M+Na]+ 278.118518 164.9
[M-H]- 254.122024 161.6
[M+NH4]+ 273.163123 175.7
[M+K]+ 294.092458 161.0
[M+H-H2O]+ 238.126560 151.7
[M+HCOO]- 300.127501 176.4
[M+CH3COO]- 314.143151 195.9
[M+Na-2H]- 276.103966 161.5
[M]+ 255.12875142 162.3
[M]- 255.12984858 162.3
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.