CID 3658499

N-dodecylbenzenesulfonamide

Structural Information

Molecular Formula
C18H31NO2S
SMILES
CCCCCCCCCCCCNS(=O)(=O)C1=CC=CC=C1
InChI
InChI=1S/C18H31NO2S/c1-2-3-4-5-6-7-8-9-10-14-17-19-22(20,21)18-15-12-11-13-16-18/h11-13,15-16,19H,2-10,14,17H2,1H3
InChIKey
JDFQESJSEKBBIL-UHFFFAOYSA-N
Compound name
N-dodecylbenzenesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

346
Patents

325.20755 Da
Monoisotopic Mass

6.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 326.214826 180.5
[M+Na]+ 348.196768 184.0
[M-H]- 324.200274 182.4
[M+NH4]+ 343.241373 194.7
[M+K]+ 364.170708 178.8
[M+H-H2O]+ 308.204810 172.6
[M+HCOO]- 370.205751 197.0
[M+CH3COO]- 384.221401 209.8
[M+Na-2H]- 346.182216 181.9
[M]+ 325.20700142 185.9
[M]- 325.20809858 185.9
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

patents stripe