CID 2784019

4-chloro-n-[2-(4-morpholinyl)-2-phenylethyl]benzenesulfonamide

Structural Information

Molecular Formula
C18H21ClN2O3S
SMILES
C1COCCN1C(CNS(=O)(=O)C2=CC=C(C=C2)Cl)C3=CC=CC=C3
InChI
InChI=1S/C18H21ClN2O3S/c19-16-6-8-17(9-7-16)25(22,23)20-14-18(15-4-2-1-3-5-15)21-10-12-24-13-11-21/h1-9,18,20H,10-14H2
InChIKey
SUYNYRMPDZCVQW-UHFFFAOYSA-N
Compound name
4-chloro-N-(2-morpholin-4-yl-2-phenylethyl)benzenesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

380.09613 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 381.103406 185.0
[M+Na]+ 403.085348 189.5
[M-H]- 379.088854 192.8
[M+NH4]+ 398.129953 194.3
[M+K]+ 419.059288 184.8
[M+H-H2O]+ 363.093390 176.3
[M+HCOO]- 425.094331 193.0
[M+CH3COO]- 439.109981 213.1
[M+Na-2H]- 401.070796 188.1
[M]+ 380.09558142 185.6
[M]- 380.09667858 185.6
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.