CID 2060430

477320-25-5

Structural Information

Molecular Formula
C17H18ClNO
SMILES
CCC1=CC=C(C=C1)NCCC(=O)C2=CC=C(C=C2)Cl
InChI
InChI=1S/C17H18ClNO/c1-2-13-3-9-16(10-4-13)19-12-11-17(20)14-5-7-15(18)8-6-14/h3-10,19H,2,11-12H2,1H3
InChIKey
WEQSKGVQKRPOPD-UHFFFAOYSA-N
Compound name
1-(4-chlorophenyl)-3-(4-ethylanilino)propan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

5
References

0
Patents

287.1077 Da
Monoisotopic Mass

5.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 288.11498 166.8
[M+Na]+ 310.09692 173.9
[M-H]- 286.10042 173.0
[M+NH4]+ 305.14152 182.9
[M+K]+ 326.07086 167.7
[M+H-H2O]+ 270.10496 159.6
[M+HCOO]- 332.10590 186.0
[M+CH3COO]- 346.12155 203.9
[M+Na-2H]- 308.08237 170.3
[M]+ 287.10715 169.3
[M]- 287.10825 169.3
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.