CID 2268649

2-(4-bromo-2-tert-butylphenoxy)-n-(4-{[(3,4-dimethyl-5-isoxazolyl)amino]sulfonyl}phenyl)acetamide

Structural Information

Molecular Formula
C23H26BrN3O5S
SMILES
CC1=C(ON=C1C)NS(=O)(=O)C2=CC=C(C=C2)NC(=O)COC3=C(C=C(C=C3)Br)C(C)(C)C
InChI
InChI=1S/C23H26BrN3O5S/c1-14-15(2)26-32-22(14)27-33(29,30)18-9-7-17(8-10-18)25-21(28)13-31-20-11-6-16(24)12-19(20)23(3,4)5/h6-12,27H,13H2,1-5H3,(H,25,28)
InChIKey
TWTDTSTXZDFZOS-UHFFFAOYSA-N
Compound name
2-(4-bromo-2-tert-butylphenoxy)-N-[4-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]phenyl]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

535.07764 Da
Monoisotopic Mass

4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 536.08492 212.6
[M+Na]+ 558.06686 221.7
[M-H]- 534.07036 224.4
[M+NH4]+ 553.11146 221.4
[M+K]+ 574.04080 210.8
[M+H-H2O]+ 518.07490 209.7
[M+HCOO]- 580.07584 226.0
[M+CH3COO]- 594.09149 242.0
[M+Na-2H]- 556.05231 215.4
[M]+ 535.07709 237.6
[M]- 535.07819 237.6
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.