CID 4690267

882748-68-7

Structural Information

Molecular Formula
C21H24ClNO
SMILES
C1CCC(CC1)C2=CC=C(C=C2)NCCC(=O)C3=CC=C(C=C3)Cl
InChI
InChI=1S/C21H24ClNO/c22-19-10-6-18(7-11-19)21(24)14-15-23-20-12-8-17(9-13-20)16-4-2-1-3-5-16/h6-13,16,23H,1-5,14-15H2
InChIKey
HFTMSHHHHOMLKS-UHFFFAOYSA-N
Compound name
1-(4-chlorophenyl)-3-(4-cyclohexylanilino)propan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

341.15463 Da
Monoisotopic Mass

6.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 342.16191 183.8
[M+Na]+ 364.14385 198.1
[M+NH4]+ 359.18845 193.2
[M+K]+ 380.11779 187.8
[M-H]- 340.14735 191.4
[M+Na-2H]- 362.12930 193.5
[M]+ 341.15408 188.4
[M]- 341.15518 188.4
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.