CID 3047040

Benzenesulfonamide, 4-amino-5-chloro-2-methoxy-n-(3-(4-morpholinyl)propyl)-, monohydrochloride

Structural Information

Molecular Formula
C14H22ClN3O4S
SMILES
COC1=C(C=C(C(=C1)N)Cl)S(=O)(=O)NCCCN2CCOCC2
InChI
InChI=1S/C14H22ClN3O4S/c1-21-13-10-12(16)11(15)9-14(13)23(19,20)17-3-2-4-18-5-7-22-8-6-18/h9-10,17H,2-8,16H2,1H3
InChIKey
ZLWRWKZEDDUCCE-UHFFFAOYSA-N
Compound name
4-amino-5-chloro-2-methoxy-N-(3-morpholin-4-ylpropyl)benzenesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

363.10196 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 364.10924 181.2
[M+Na]+ 386.09118 186.8
[M-H]- 362.09468 186.1
[M+NH4]+ 381.13578 191.5
[M+K]+ 402.06512 182.8
[M+H-H2O]+ 346.09922 173.6
[M+HCOO]- 408.10016 190.4
[M+CH3COO]- 422.11581 213.6
[M+Na-2H]- 384.07663 183.2
[M]+ 363.10141 183.8
[M]- 363.10251 183.8
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.