CID 3854080

5-amino-n-(4-bromophenyl)-2-methoxybenzene-1-sulfonamide

Structural Information

Molecular Formula
C13H13BrN2O3S
SMILES
COC1=C(C=C(C=C1)N)S(=O)(=O)NC2=CC=C(C=C2)Br
InChI
InChI=1S/C13H13BrN2O3S/c1-19-12-7-4-10(15)8-13(12)20(17,18)16-11-5-2-9(14)3-6-11/h2-8,16H,15H2,1H3
InChIKey
WNUKMPUZMALMLG-UHFFFAOYSA-N
Compound name
5-amino-N-(4-bromophenyl)-2-methoxybenzenesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

16
Patents

355.98303 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 356.99031 161.5
[M+Na]+ 378.97225 172.8
[M-H]- 354.97575 170.5
[M+NH4]+ 374.01685 177.9
[M+K]+ 394.94619 159.6
[M+H-H2O]+ 338.98029 159.6
[M+HCOO]- 400.98123 179.2
[M+CH3COO]- 414.99688 209.3
[M+Na-2H]- 376.95770 167.6
[M]+ 355.98248 181.7
[M]- 355.98358 181.7
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

patents stripe