CID 4158798

1-(3,4-dichlorophenyl)-3-(4-phenoxyanilino)-1-propanone

Structural Information

Molecular Formula
C21H17Cl2NO2
SMILES
C1=CC=C(C=C1)OC2=CC=C(C=C2)NCCC(=O)C3=CC(=C(C=C3)Cl)Cl
InChI
InChI=1S/C21H17Cl2NO2/c22-19-11-6-15(14-20(19)23)21(25)12-13-24-16-7-9-18(10-8-16)26-17-4-2-1-3-5-17/h1-11,14,24H,12-13H2
InChIKey
BMUZEHITTRVDTE-UHFFFAOYSA-N
Compound name
1-(3,4-dichlorophenyl)-3-(4-phenoxyanilino)propan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

385.06363 Da
Monoisotopic Mass

6.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 386.07091 190.4
[M+Na]+ 408.05285 207.7
[M+NH4]+ 403.09745 199.3
[M+K]+ 424.02679 196.7
[M-H]- 384.05635 197.8
[M+Na-2H]- 406.03830 201.6
[M]+ 385.06308 195.8
[M]- 385.06418 195.8
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.