CID 117144

71411-70-6

Structural Information

Molecular Formula
C11H18N2O3S
SMILES
CCCCNS(=O)(=O)C1=C(C=CC(=C1)N)OC
InChI
InChI=1S/C11H18N2O3S/c1-3-4-7-13-17(14,15)11-8-9(12)5-6-10(11)16-2/h5-6,8,13H,3-4,7,12H2,1-2H3
InChIKey
UDWDZYCRDRQOCJ-UHFFFAOYSA-N
Compound name
5-amino-N-butyl-2-methoxybenzenesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

258.10382 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 259.111096 156.3
[M+Na]+ 281.093038 163.4
[M-H]- 257.096544 159.5
[M+NH4]+ 276.137643 173.0
[M+K]+ 297.066978 160.0
[M+H-H2O]+ 241.101080 149.6
[M+HCOO]- 303.102021 175.5
[M+CH3COO]- 317.117671 197.7
[M+Na-2H]- 279.078486 159.5
[M]+ 258.10327142 159.5
[M]- 258.10436858 159.5
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

No patent data available for this compound.