CID 45791648

4-amino-n-(4-butylphenyl)-2-methoxybenzene-1-sulfonamide

Structural Information

Molecular Formula
C17H22N2O3S
SMILES
CCCCC1=CC=C(C=C1)NS(=O)(=O)C2=C(C=C(C=C2)N)OC
InChI
InChI=1S/C17H22N2O3S/c1-3-4-5-13-6-9-15(10-7-13)19-23(20,21)17-11-8-14(18)12-16(17)22-2/h6-12,19H,3-5,18H2,1-2H3
InChIKey
LYQIQTFAXRJUAX-UHFFFAOYSA-N
Compound name
4-amino-N-(4-butylphenyl)-2-methoxybenzenesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

334.1351 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 335.14238 177.4
[M+Na]+ 357.12432 184.2
[M-H]- 333.12782 183.6
[M+NH4]+ 352.16892 190.8
[M+K]+ 373.09826 179.0
[M+H-H2O]+ 317.13236 169.1
[M+HCOO]- 379.13330 196.2
[M+CH3COO]- 393.14895 212.7
[M+Na-2H]- 355.10977 179.9
[M]+ 334.13455 180.6
[M]- 334.13565 180.6
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.