CID 63251857

N-(3-aminobutyl)benzenesulfonamide hydrochloride

Structural Information

Molecular Formula
C10H16N2O2S
SMILES
CC(CCNS(=O)(=O)C1=CC=CC=C1)N
InChI
InChI=1S/C10H16N2O2S/c1-9(11)7-8-12-15(13,14)10-5-3-2-4-6-10/h2-6,9,12H,7-8,11H2,1H3
InChIKey
BHAWNJCWXURZLF-UHFFFAOYSA-N
Compound name
N-(3-aminobutyl)benzenesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

7
Patents

228.09325 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 229.10053 149.4
[M+Na]+ 251.08247 155.1
[M-H]- 227.08597 152.2
[M+NH4]+ 246.12707 166.8
[M+K]+ 267.05641 151.9
[M+H-H2O]+ 211.09051 142.8
[M+HCOO]- 273.09145 167.7
[M+CH3COO]- 287.10710 190.9
[M+Na-2H]- 249.06792 153.2
[M]+ 228.09270 149.4
[M]- 228.09380 149.4
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