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 150.1
[M+Na]+ 251.08247 158.7
[M+NH4]+ 246.12707 157.1
[M+K]+ 267.05641 152.3
[M-H]- 227.08597 151.4
[M+Na-2H]- 249.06792 155.0
[M]+ 228.09270 151.8
[M]- 228.09380 151.8
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