CID 4583532

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

Structural Information

Molecular Formula
C15H17BrN2O4S
SMILES
CCOC1=C(C=C(C=C1)NS(=O)(=O)C2=C(C=CC(=C2)N)OC)Br
InChI
InChI=1S/C15H17BrN2O4S/c1-3-22-13-7-5-11(9-12(13)16)18-23(19,20)15-8-10(17)4-6-14(15)21-2/h4-9,18H,3,17H2,1-2H3
InChIKey
YJQRIOMALFYHQI-UHFFFAOYSA-N
Compound name
5-amino-N-(3-bromo-4-ethoxyphenyl)-2-methoxybenzenesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

400.00925 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 401.01653 172.7
[M+Na]+ 422.99847 183.4
[M-H]- 399.00197 181.5
[M+NH4]+ 418.04307 187.4
[M+K]+ 438.97241 170.5
[M+H-H2O]+ 383.00651 170.1
[M+HCOO]- 445.00745 189.8
[M+CH3COO]- 459.02310 218.2
[M+Na-2H]- 420.98392 177.4
[M]+ 400.00870 195.1
[M]- 400.00980 195.1
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.