CID 3046710

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

Structural Information

Molecular Formula
C12H20ClN3O3S
SMILES
CN(C)CCCNS(=O)(=O)C1=C(C=C(C(=C1)Cl)N)OC
InChI
InChI=1S/C12H20ClN3O3S/c1-16(2)6-4-5-15-20(17,18)12-7-9(13)10(14)8-11(12)19-3/h7-8,15H,4-6,14H2,1-3H3
InChIKey
SVDIORUHCDEYOV-UHFFFAOYSA-N
Compound name
4-amino-5-chloro-N-[3-(dimethylamino)propyl]-2-methoxybenzenesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

321.0914 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 322.09868 171.1
[M+Na]+ 344.08062 178.3
[M-H]- 320.08412 175.8
[M+NH4]+ 339.12522 186.6
[M+K]+ 360.05456 174.4
[M+H-H2O]+ 304.08866 164.8
[M+HCOO]- 366.08960 186.7
[M+CH3COO]- 380.10525 214.1
[M+Na-2H]- 342.06607 172.6
[M]+ 321.09085 177.4
[M]- 321.09195 177.4
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

patents stripe