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 188.3
[M+Na]+ 408.05285 196.1
[M-H]- 384.05635 196.9
[M+NH4]+ 403.09745 200.6
[M+K]+ 424.02679 188.4
[M+H-H2O]+ 368.06089 179.9
[M+HCOO]- 430.06183 202.5
[M+CH3COO]- 444.07748 218.9
[M+Na-2H]- 406.03830 190.8
[M]+ 385.06308 193.1
[M]- 385.06418 193.1
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.