CID 66455

Benzenesulfonamide, 3-amino-n-butyl-4-methoxy-

Structural Information

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

2D Structure

compound 2d structure
3
Annotation Hits

0
References

38
Patents

258.10382 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 259.11110 156.3
[M+Na]+ 281.09304 163.4
[M-H]- 257.09654 159.5
[M+NH4]+ 276.13764 173.0
[M+K]+ 297.06698 160.0
[M+H-H2O]+ 241.10108 149.6
[M+HCOO]- 303.10202 175.5
[M+CH3COO]- 317.11767 197.7
[M+Na-2H]- 279.07849 159.5
[M]+ 258.10327 159.5
[M]- 258.10437 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

patents stripe