CID 2423954

4-amino-n-(3-bromo-4-ethoxyphenyl)benzene-1-sulfonamide

Structural Information

Molecular Formula
C14H15BrN2O3S
SMILES
CCOC1=C(C=C(C=C1)NS(=O)(=O)C2=CC=C(C=C2)N)Br
InChI
InChI=1S/C14H15BrN2O3S/c1-2-20-14-8-5-11(9-13(14)15)17-21(18,19)12-6-3-10(16)4-7-12/h3-9,17H,2,16H2,1H3
InChIKey
CZBHJOYWPCWXFR-UHFFFAOYSA-N
Compound name
4-amino-N-(3-bromo-4-ethoxyphenyl)benzenesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

369.9987 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 371.00598 165.9
[M+Na]+ 392.98792 176.6
[M-H]- 368.99142 174.6
[M+NH4]+ 388.03252 181.7
[M+K]+ 408.96186 163.3
[M+H-H2O]+ 352.99596 163.7
[M+HCOO]- 414.99690 183.2
[M+CH3COO]- 429.01255 212.1
[M+Na-2H]- 390.97337 171.4
[M]+ 369.99815 186.4
[M]- 369.99925 186.4
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.