CID 220596

N,n-dibutylbenzenesulfonamide

Structural Information

Molecular Formula
C14H23NO2S
SMILES
CCCCN(CCCC)S(=O)(=O)C1=CC=CC=C1
InChI
InChI=1S/C14H23NO2S/c1-3-5-12-15(13-6-4-2)18(16,17)14-10-8-7-9-11-14/h7-11H,3-6,12-13H2,1-2H3
InChIKey
YKXINVWHNNYQMA-UHFFFAOYSA-N
Compound name
N,N-dibutylbenzenesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

172
Patents

269.14496 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 270.152236 163.3
[M+Na]+ 292.134178 168.8
[M-H]- 268.137684 167.6
[M+NH4]+ 287.178783 180.5
[M+K]+ 308.108118 166.0
[M+H-H2O]+ 252.142220 156.1
[M+HCOO]- 314.143161 181.6
[M+CH3COO]- 328.158811 201.2
[M+Na-2H]- 290.119626 166.0
[M]+ 269.14441142 168.6
[M]- 269.14550858 168.6
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