CID 3047044

62833-49-2

Structural Information

Molecular Formula
C13H21ClN2O3S
SMILES
CCN(CC)CCNS(=O)(=O)C1=C(C=CC(=C1)Cl)OC
InChI
InChI=1S/C13H21ClN2O3S/c1-4-16(5-2)9-8-15-20(17,18)13-10-11(14)6-7-12(13)19-3/h6-7,10,15H,4-5,8-9H2,1-3H3
InChIKey
DFWPRNUWNYAGJU-UHFFFAOYSA-N
Compound name
5-chloro-N-[2-(diethylamino)ethyl]-2-methoxybenzenesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

320.09613 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 321.10341 171.2
[M+Na]+ 343.08535 178.2
[M-H]- 319.08885 176.2
[M+NH4]+ 338.12995 187.3
[M+K]+ 359.05929 174.5
[M+H-H2O]+ 303.09339 165.0
[M+HCOO]- 365.09433 186.4
[M+CH3COO]- 379.10998 211.2
[M+Na-2H]- 341.07080 173.5
[M]+ 320.09558 179.4
[M]- 320.09668 179.4
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.