CID 3483208

1-(4-chlorophenyl)-3-(4-ethoxyanilino)-1-propanone

Structural Information

Molecular Formula
C17H18ClNO2
SMILES
CCOC1=CC=C(C=C1)NCCC(=O)C2=CC=C(C=C2)Cl
InChI
InChI=1S/C17H18ClNO2/c1-2-21-16-9-7-15(8-10-16)19-12-11-17(20)13-3-5-14(18)6-4-13/h3-10,19H,2,11-12H2,1H3
InChIKey
VFDWVKOTFLFOIO-UHFFFAOYSA-N
Compound name
1-(4-chlorophenyl)-3-(4-ethoxyanilino)propan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

303.1026 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 304.10988 169.7
[M+Na]+ 326.09182 176.7
[M-H]- 302.09532 176.0
[M+NH4]+ 321.13642 185.2
[M+K]+ 342.06576 171.3
[M+H-H2O]+ 286.09986 162.3
[M+HCOO]- 348.10080 189.2
[M+CH3COO]- 362.11645 205.9
[M+Na-2H]- 324.07727 173.4
[M]+ 303.10205 173.7
[M]- 303.10315 173.7
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.