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]+ 256.13658 158.3
[M+Na]+ 278.11852 164.9
[M-H]- 254.12202 161.6
[M+NH4]+ 273.16312 175.7
[M+K]+ 294.09246 161.0
[M+H-H2O]+ 238.12656 151.7
[M+HCOO]- 300.12750 176.4
[M+CH3COO]- 314.14315 195.9
[M+Na-2H]- 276.10397 161.5
[M]+ 255.12875 162.3
[M]- 255.12985 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.