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]+ 285.12676 164.4
[M+Na]+ 307.10870 169.9
[M-H]- 283.11220 169.0
[M+NH4]+ 302.15330 180.5
[M+K]+ 323.08264 167.8
[M+H-H2O]+ 267.11674 157.1
[M+HCOO]- 329.11768 183.2
[M+CH3COO]- 343.13333 206.4
[M+Na-2H]- 305.09415 166.6
[M]+ 284.11893 168.9
[M]- 284.12003 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.