CID 3046706

Benzenesulfonamide, 4-amino-5-chloro-n-(2-(diethylamino)ethyl)-2-methoxy-, monohydrochloride

Structural Information

Molecular Formula
C13H22ClN3O3S
SMILES
CCN(CC)CCNS(=O)(=O)C1=C(C=C(C(=C1)Cl)N)OC
InChI
InChI=1S/C13H22ClN3O3S/c1-4-17(5-2)7-6-16-21(18,19)13-8-10(14)11(15)9-12(13)20-3/h8-9,16H,4-7,15H2,1-3H3
InChIKey
KFKOUEORGRALRU-UHFFFAOYSA-N
Compound name
4-amino-5-chloro-N-[2-(diethylamino)ethyl]-2-methoxybenzenesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

335.10703 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 336.11431 175.4
[M+Na]+ 358.09625 182.2
[M-H]- 334.09975 180.0
[M+NH4]+ 353.14085 190.4
[M+K]+ 374.07019 178.1
[M+H-H2O]+ 318.10429 168.9
[M+HCOO]- 380.10523 190.8
[M+CH3COO]- 394.12088 217.1
[M+Na-2H]- 356.08170 176.5
[M]+ 335.10648 182.1
[M]- 335.10758 182.1
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