CID 1553682

2-(3-bromophenoxy)-n-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]acetamide

Structural Information

Molecular Formula
C22H17BrN2O2S
SMILES
CC1=CC2=C(C=C1)N=C(S2)C3=CC=C(C=C3)NC(=O)COC4=CC(=CC=C4)Br
InChI
InChI=1S/C22H17BrN2O2S/c1-14-5-10-19-20(11-14)28-22(25-19)15-6-8-17(9-7-15)24-21(26)13-27-18-4-2-3-16(23)12-18/h2-12H,13H2,1H3,(H,24,26)
InChIKey
RDQDVIJZKQTPDD-UHFFFAOYSA-N
Compound name
2-(3-bromophenoxy)-N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

452.0194 Da
Monoisotopic Mass

6.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 453.02668 186.9
[M+Na]+ 475.00862 193.1
[M+NH4]+ 470.05322 192.0
[M+K]+ 490.98256 190.5
[M-H]- 451.01212 192.0
[M+Na-2H]- 472.99407 193.7
[M]+ 452.01885 188.7
[M]- 452.01995 188.7
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.