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]+ 404.96698 171.3
[M+Na]+ 426.94892 183.7
[M-H]- 402.95242 180.5
[M+NH4]+ 421.99352 187.0
[M+K]+ 442.92286 168.8
[M+H-H2O]+ 386.95696 170.2
[M+HCOO]- 448.95790 184.3
[M+CH3COO]- 462.97355 216.6
[M+Na-2H]- 424.93437 176.0
[M]+ 403.95915 194.1
[M]- 403.96025 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.