CID 384360

Nsc674068

Structural Information

Molecular Formula
C21H26Br2N2O4S
SMILES
CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)C(=O)NC2=CC(=C(C=C2S(=O)(=O)N)Br)Br
InChI
InChI=1S/C21H26Br2N2O4S/c1-20(2,3)12-7-11(8-13(18(12)26)21(4,5)6)19(27)25-16-9-14(22)15(23)10-17(16)30(24,28)29/h7-10,26H,1-6H3,(H,25,27)(H2,24,28,29)
InChIKey
DKQCXNBOMPDQIK-UHFFFAOYSA-N
Compound name
3,5-ditert-butyl-N-(4,5-dibromo-2-sulfamoylphenyl)-4-hydroxybenzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

559.998 Da
Monoisotopic Mass

6.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 561.00528 193.3
[M+Na]+ 582.98722 201.0
[M-H]- 558.99072 200.2
[M+NH4]+ 578.03182 203.0
[M+K]+ 598.96116 183.7
[M+H-H2O]+ 542.99526 197.8
[M+HCOO]- 604.99620 199.2
[M+CH3COO]- 619.01185 242.1
[M+Na-2H]- 580.97267 195.1
[M]+ 559.99745 227.7
[M]- 559.99855 227.7
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

No patent data available for this compound.