CID 5006322

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

Structural Information

Molecular Formula
C15H17BrN2O3S
SMILES
CCOC1=C(C=C(C=C1)NS(=O)(=O)C2=C(C=CC(=C2)N)C)Br
InChI
InChI=1S/C15H17BrN2O3S/c1-3-21-14-7-6-12(9-13(14)16)18-22(19,20)15-8-11(17)5-4-10(15)2/h4-9,18H,3,17H2,1-2H3
InChIKey
RYDJUQGNBWTTCU-UHFFFAOYSA-N
Compound name
5-amino-N-(3-bromo-4-ethoxyphenyl)-2-methylbenzenesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

384.01434 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 385.02162 170.3
[M+Na]+ 407.00356 181.3
[M-H]- 383.00706 179.1
[M+NH4]+ 402.04816 185.7
[M+K]+ 422.97750 167.8
[M+H-H2O]+ 367.01160 167.9
[M+HCOO]- 429.01254 187.2
[M+CH3COO]- 443.02819 216.1
[M+Na-2H]- 404.98901 174.7
[M]+ 384.01379 191.4
[M]- 384.01489 191.4
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.