CID 4169866

88617-67-8

Structural Information

Molecular Formula
C20H18Br2N2O4S2
SMILES
CC1=CC=C(C=C1)S(=O)(=O)NC2=CC(=C(C=C2NS(=O)(=O)C3=CC=C(C=C3)C)Br)Br
InChI
InChI=1S/C20H18Br2N2O4S2/c1-13-3-7-15(8-4-13)29(25,26)23-19-11-17(21)18(22)12-20(19)24-30(27,28)16-9-5-14(2)6-10-16/h3-12,23-24H,1-2H3
InChIKey
HQTDELJACHUANE-UHFFFAOYSA-N
Compound name
N-[4,5-dibromo-2-[(4-methylphenyl)sulfonylamino]phenyl]-4-methylbenzenesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

18
Patents

571.9075 Da
Monoisotopic Mass

5.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 572.914776 174.4
[M+Na]+ 594.896718 183.8
[M-H]- 570.900224 184.8
[M+NH4]+ 589.941323 184.5
[M+K]+ 610.870658 165.9
[M+H-H2O]+ 554.904760 179.8
[M+HCOO]- 616.905701 182.1
[M+CH3COO]- 630.921351 240.6
[M+Na-2H]- 592.882166 181.3
[M]+ 571.90695142 210.0
[M]- 571.90804858 210.0
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