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

38
Patents

257.1198 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 258.127076 156.9
[M+Na]+ 280.109018 162.5
[M-H]- 256.112524 161.1
[M+NH4]+ 275.153623 173.6
[M+K]+ 296.082958 159.9
[M+H-H2O]+ 240.117060 149.4
[M+HCOO]- 302.118001 177.2
[M+CH3COO]- 316.133651 202.8
[M+Na-2H]- 278.094466 160.5
[M]+ 257.11925142 158.7
[M]- 257.12034858 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