CID 3866645

5-amino-n-(3-bromo-4-ethoxyphenyl)-2-chlorobenzene-1-sulfonamide

Structural Information

Molecular Formula
C14H14BrClN2O3S
SMILES
CCOC1=C(C=C(C=C1)NS(=O)(=O)C2=C(C=CC(=C2)N)Cl)Br
InChI
InChI=1S/C14H14BrClN2O3S/c1-2-21-13-6-4-10(8-11(13)15)18-22(19,20)14-7-9(17)3-5-12(14)16/h3-8,18H,2,17H2,1H3
InChIKey
CYVQTNHQRHRCMM-UHFFFAOYSA-N
Compound name
5-amino-N-(3-bromo-4-ethoxyphenyl)-2-chlorobenzenesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

403.9597 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 404.966976 171.3
[M+Na]+ 426.948918 183.7
[M-H]- 402.952424 180.5
[M+NH4]+ 421.993523 187.0
[M+K]+ 442.922858 168.8
[M+H-H2O]+ 386.956960 170.2
[M+HCOO]- 448.957901 184.3
[M+CH3COO]- 462.973551 216.6
[M+Na-2H]- 424.934366 176.0
[M]+ 403.95915142 194.1
[M]- 403.96024858 194.1
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.