CID 1076689

300670-16-0

Structural Information

Molecular Formula

C₁₉H₁₄Br₂N₂O₃S

SMILES

C1=CC(=CC(=C1)S(=O)(=O)NC2=CC=C(C=C2)Br)C(=O)NC3=CC=C(C=C3)Br

InChI

InChI=1S/C19H14Br2N2O3S/c20-14-4-8-16(9-5-14)22-19(24)13-2-1-3-18(12-13)27(25,26)23-17-10-6-15(21)7-11-17/h1-12,23H,(H,22,24)

InChIKey

SJJKUNDBFWUAQB-UHFFFAOYSA-N

Compound name

N-(4-bromophenyl)-3-[(4-bromophenyl)sulfamoyl]benzamide

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 2
References: 13
Patents: 507.90918 Da
Monoisotopic Mass: 4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	508.91646	168.5
[M+Na]+	530.89840	164.0
[M+NH4]+	525.94300	169.8
[M+K]+	546.87234	169.5
[M-H]-	506.90190	171.5
[M+Na-2H]-	528.88385	172.7
[M]+	507.90863	168.0
[M]-	507.90973	168.0

Literature stripe

literature stripe

Patent stripe

patents stripe