CID 14204359

4-amino-n-[3-(dimethylamino)propyl]benzene-1-sulfonamide dihydrochloride

Structural Information

Molecular Formula
C11H19N3O2S
SMILES
CN(C)CCCNS(=O)(=O)C1=CC=C(C=C1)N
InChI
InChI=1S/C11H19N3O2S/c1-14(2)9-3-8-13-17(15,16)11-6-4-10(12)5-7-11/h4-7,13H,3,8-9,12H2,1-2H3
InChIKey
NTMILMJVFUKRJM-UHFFFAOYSA-N
Compound name
4-amino-N-[3-(dimethylamino)propyl]benzenesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

33
Patents

257.1198 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 258.12708 158.1
[M+Na]+ 280.10902 166.0
[M+NH4]+ 275.15362 164.7
[M+K]+ 296.08296 159.8
[M-H]- 256.11252 160.2
[M+Na-2H]- 278.09447 162.9
[M]+ 257.11925 159.9
[M]- 257.12035 159.9
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