CID 1039737

312756-74-4

Structural Information

Molecular Formula
C20H16Br2N2O3S
SMILES
C1=CC=C(C=C1)CNS(=O)(=O)C2=C(C=CC(=C2)C(=O)NC3=CC=C(C=C3)Br)Br
InChI
InChI=1S/C20H16Br2N2O3S/c21-16-7-9-17(10-8-16)24-20(25)15-6-11-18(22)19(12-15)28(26,27)23-13-14-4-2-1-3-5-14/h1-12,23H,13H2,(H,24,25)
InChIKey
SWKAVEUTKGKHSR-UHFFFAOYSA-N
Compound name
3-(benzylsulfamoyl)-4-bromo-N-(4-bromophenyl)benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

7
References

84
Patents

521.92487 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 522.93215 179.5
[M+Na]+ 544.91409 187.2
[M-H]- 520.91759 190.0
[M+NH4]+ 539.95869 190.5
[M+K]+ 560.88803 170.4
[M+H-H2O]+ 504.92213 184.7
[M+HCOO]- 566.92307 191.4
[M+CH3COO]- 580.93872 234.6
[M+Na-2H]- 542.89954 184.7
[M]+ 521.92432 213.9
[M]- 521.92542 213.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe