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
1
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]+ 340.23048 184.5
[M+Na]+ 362.21242 188.4
[M-H]- 338.21592 186.6
[M+NH4]+ 357.25702 198.5
[M+K]+ 378.18636 183.1
[M+H-H2O]+ 322.22046 176.7
[M+HCOO]- 384.22140 200.6
[M+CH3COO]- 398.23705 213.9
[M+Na-2H]- 360.19787 184.8
[M]+ 339.22265 190.6
[M]- 339.22375 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

No literature data available for this compound.

Patent stripe

No patent data available for this compound.