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

322
Patents

325.20755 Da
Monoisotopic Mass

6.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 326.21483 180.5
[M+Na]+ 348.19677 184.0
[M-H]- 324.20027 182.4
[M+NH4]+ 343.24137 194.7
[M+K]+ 364.17071 178.8
[M+H-H2O]+ 308.20481 172.6
[M+HCOO]- 370.20575 197.0
[M+CH3COO]- 384.22140 209.8
[M+Na-2H]- 346.18222 181.9
[M]+ 325.20700 185.9
[M]- 325.20810 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