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 156.9
[M+Na]+ 280.10902 162.5
[M-H]- 256.11252 161.1
[M+NH4]+ 275.15362 173.6
[M+K]+ 296.08296 159.9
[M+H-H2O]+ 240.11706 149.4
[M+HCOO]- 302.11800 177.2
[M+CH3COO]- 316.13365 202.8
[M+Na-2H]- 278.09447 160.5
[M]+ 257.11925 158.7
[M]- 257.12035 158.7
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