CID 20576485

4'-methyldodecane-1-sulfonanilide

Structural Information

Molecular Formula
C19H33NO2S
SMILES
CCCCCCCCCCCCS(=O)(=O)NC1=CC=C(C=C1)C
InChI
InChI=1S/C19H33NO2S/c1-3-4-5-6-7-8-9-10-11-12-17-23(21,22)20-19-15-13-18(2)14-16-19/h13-16,20H,3-12,17H2,1-2H3
InChIKey
JKWPCVDUIXRKJZ-UHFFFAOYSA-N
Compound name
N-(4-methylphenyl)dodecane-1-sulfonamide
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

2
References

19
Patents

339.2232 Da
Monoisotopic Mass

6.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 340.230476 184.5
[M+Na]+ 362.212418 188.4
[M-H]- 338.215924 186.6
[M+NH4]+ 357.257023 198.5
[M+K]+ 378.186358 183.1
[M+H-H2O]+ 322.220460 176.7
[M+HCOO]- 384.221401 200.6
[M+CH3COO]- 398.237051 213.9
[M+Na-2H]- 360.197866 184.8
[M]+ 339.22265142 190.6
[M]- 339.22374858 190.6
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