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]+ 386.11141 187.9
[M+Na]+ 408.09335 193.1
[M-H]- 384.09685 197.8
[M+NH4]+ 403.13795 202.0
[M+K]+ 424.06729 180.2
[M+H-H2O]+ 368.10139 184.8
[M+HCOO]- 430.10233 204.7
[M+CH3COO]- 444.11798 217.1
[M+Na-2H]- 406.07880 189.9
[M]+ 385.10358 201.3
[M]- 385.10468 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.