CID 3046712

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

Structural Information

Molecular Formula
C14H24ClN3O3S
SMILES
CCN(CC)CCCNS(=O)(=O)C1=C(C=C(C(=C1)Cl)N)OC
InChI
InChI=1S/C14H24ClN3O3S/c1-4-18(5-2)8-6-7-17-22(19,20)14-9-11(15)12(16)10-13(14)21-3/h9-10,17H,4-8,16H2,1-3H3
InChIKey
VQYGQLLWJKBXFD-UHFFFAOYSA-N
Compound name
4-amino-5-chloro-N-[3-(diethylamino)propyl]-2-methoxybenzenesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

349.12268 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 350.12996 179.8
[M+Na]+ 372.11190 186.1
[M-H]- 348.11540 184.1
[M+NH4]+ 367.15650 194.1
[M+K]+ 388.08584 181.8
[M+H-H2O]+ 332.11994 173.1
[M+HCOO]- 394.12088 194.8
[M+CH3COO]- 408.13653 220.0
[M+Na-2H]- 370.09735 180.4
[M]+ 349.12213 186.8
[M]- 349.12323 186.8
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

patents stripe