CID 831028

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

Structural Information

Molecular Formula
C17H17Cl2NO
SMILES
CCC1=CC=C(C=C1)NCCC(=O)C2=CC(=C(C=C2)Cl)Cl
InChI
InChI=1S/C17H17Cl2NO/c1-2-12-3-6-14(7-4-12)20-10-9-17(21)13-5-8-15(18)16(19)11-13/h3-8,11,20H,2,9-10H2,1H3
InChIKey
DIFDSRVIPKELRA-UHFFFAOYSA-N
Compound name
1-(3,4-dichlorophenyl)-3-(4-ethylanilino)propan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

321.06873 Da
Monoisotopic Mass

5.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 322.07601 172.7
[M+Na]+ 344.05795 181.1
[M-H]- 320.06145 178.5
[M+NH4]+ 339.10255 188.3
[M+K]+ 360.03189 173.8
[M+H-H2O]+ 304.06599 166.4
[M+HCOO]- 366.06693 186.8
[M+CH3COO]- 380.08258 209.3
[M+Na-2H]- 342.04340 174.8
[M]+ 321.06818 177.0
[M]- 321.06928 177.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.