CID 4342103

882748-67-6

Structural Information

Molecular Formula
C21H24BrNO
SMILES
C1CCC(CC1)C2=CC=C(C=C2)NCCC(=O)C3=CC=C(C=C3)Br
InChI
InChI=1S/C21H24BrNO/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
VXOUNAPLHUEYBN-UHFFFAOYSA-N
Compound name
1-(4-bromophenyl)-3-(4-cyclohexylanilino)propan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

385.10413 Da
Monoisotopic Mass

7.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 386.111406 187.9
[M+Na]+ 408.093348 193.1
[M-H]- 384.096854 197.8
[M+NH4]+ 403.137953 202.0
[M+K]+ 424.067288 180.2
[M+H-H2O]+ 368.101390 184.8
[M+HCOO]- 430.102331 204.7
[M+CH3COO]- 444.117981 217.1
[M+Na-2H]- 406.078796 189.9
[M]+ 385.10358142 201.3
[M]- 385.10467858 201.3
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.