CID 8036136

4-acetyl-n-[3-(dimethylamino)propyl]benzene-1-sulfonamide

Structural Information

Molecular Formula
C13H20N2O3S
SMILES
CC(=O)C1=CC=C(C=C1)S(=O)(=O)NCCCN(C)C
InChI
InChI=1S/C13H20N2O3S/c1-11(16)12-5-7-13(8-6-12)19(17,18)14-9-4-10-15(2)3/h5-8,14H,4,9-10H2,1-3H3
InChIKey
MZQIJPSRNXMUMZ-UHFFFAOYSA-N
Compound name
4-acetyl-N-[3-(dimethylamino)propyl]benzenesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

284.11948 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 285.126756 164.4
[M+Na]+ 307.108698 169.9
[M-H]- 283.112204 169.0
[M+NH4]+ 302.153303 180.5
[M+K]+ 323.082638 167.8
[M+H-H2O]+ 267.116740 157.1
[M+HCOO]- 329.117681 183.2
[M+CH3COO]- 343.133331 206.4
[M+Na-2H]- 305.094146 166.6
[M]+ 284.11893142 168.9
[M]- 284.12002858 168.9
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

No patent data available for this compound.