CID 7275271

N-(2-(4-methoxyphenyl)ethyl)-2-(2,4,6-trichlorophenoxy)acetamide

Structural Information

Molecular Formula
C17H16Cl3NO3
SMILES
COC1=CC=C(C=C1)CCNC(=O)COC2=C(C=C(C=C2Cl)Cl)Cl
InChI
InChI=1S/C17H16Cl3NO3/c1-23-13-4-2-11(3-5-13)6-7-21-16(22)10-24-17-14(19)8-12(18)9-15(17)20/h2-5,8-9H,6-7,10H2,1H3,(H,21,22)
InChIKey
YTAWBJQBXXKZCX-UHFFFAOYSA-N
Compound name
N-[2-(4-methoxyphenyl)ethyl]-2-(2,4,6-trichlorophenoxy)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

387.01956 Da
Monoisotopic Mass

5.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 388.02684 182.9
[M+Na]+ 410.00878 192.0
[M-H]- 386.01228 187.9
[M+NH4]+ 405.05338 196.2
[M+K]+ 425.98272 185.5
[M+H-H2O]+ 370.01682 177.2
[M+HCOO]- 432.01776 192.1
[M+CH3COO]- 446.03341 218.3
[M+Na-2H]- 407.99423 183.5
[M]+ 387.01901 190.6
[M]- 387.02011 190.6
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.