CID 1631150

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

Structural Information

Molecular Formula
C23H19BrN2O2S
SMILES
CC1=CC2=C(C=C1)N=C(S2)C3=CC=C(C=C3)NC(=O)COC4=C(C=C(C=C4)C)Br
InChI
InChI=1S/C23H19BrN2O2S/c1-14-4-10-20(18(24)11-14)28-13-22(27)25-17-7-5-16(6-8-17)23-26-19-9-3-15(2)12-21(19)29-23/h3-12H,13H2,1-2H3,(H,25,27)
InChIKey
MFWLHOKZPLHRJK-UHFFFAOYSA-N
Compound name
2-(2-bromo-4-methylphenoxy)-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

466.03506 Da
Monoisotopic Mass

6.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 467.042336 197.1
[M+Na]+ 489.024278 209.5
[M-H]- 465.027784 209.6
[M+NH4]+ 484.068883 211.5
[M+K]+ 504.998218 196.0
[M+H-H2O]+ 449.032320 195.1
[M+HCOO]- 511.033261 213.9
[M+CH3COO]- 525.048911 209.4
[M+Na-2H]- 487.009726 199.3
[M]+ 466.03451142 221.4
[M]- 466.03560858 221.4
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.