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]+ 467.04234 197.1
[M+Na]+ 489.02428 209.5
[M-H]- 465.02778 209.6
[M+NH4]+ 484.06888 211.5
[M+K]+ 504.99822 196.0
[M+H-H2O]+ 449.03232 195.1
[M+HCOO]- 511.03326 213.9
[M+CH3COO]- 525.04891 209.4
[M+Na-2H]- 487.00973 199.3
[M]+ 466.03451 221.4
[M]- 466.03561 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.