CID 66455

80-22-8

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

2
Annotation Hits: 0
References: 37
Patents: 258.10382 Da
Monoisotopic Mass: 2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	259.11110	157.9
[M+Na]+	281.09304	166.9
[M+NH4]+	276.13764	164.3
[M+K]+	297.06698	160.4
[M-H]-	257.09654	159.0
[M+Na-2H]-	279.07849	162.1
[M]+	258.10327	159.7
[M]-	258.10437	159.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe