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

24
Patents

571.9075 Da
Monoisotopic Mass

5.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 572.91478 174.4
[M+Na]+ 594.89672 183.8
[M-H]- 570.90022 184.8
[M+NH4]+ 589.94132 184.5
[M+K]+ 610.87066 165.9
[M+H-H2O]+ 554.90476 179.8
[M+HCOO]- 616.90570 182.1
[M+CH3COO]- 630.92135 240.6
[M+Na-2H]- 592.88217 181.3
[M]+ 571.90695 210.0
[M]- 571.90805 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