CID 3059650

Acetamide, n-(2-benzoyl-4-(trifluoromethyl)phenyl)-2-(cyclohexylamino)-n-methyl-

Structural Information

Molecular Formula
C23H25F3N2O2
SMILES
CN(C1=C(C=C(C=C1)C(F)(F)F)C(=O)C2=CC=CC=C2)C(=O)CNC3CCCCC3
InChI
InChI=1S/C23H25F3N2O2/c1-28(21(29)15-27-18-10-6-3-7-11-18)20-13-12-17(23(24,25)26)14-19(20)22(30)16-8-4-2-5-9-16/h2,4-5,8-9,12-14,18,27H,3,6-7,10-11,15H2,1H3
InChIKey
GSPIFXGLIWPQAI-UHFFFAOYSA-N
Compound name
N-[2-benzoyl-4-(trifluoromethyl)phenyl]-2-(cyclohexylamino)-N-methylacetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

418.1868 Da
Monoisotopic Mass

4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 419.19408 198.6
[M+Na]+ 441.17602 200.2
[M-H]- 417.17952 203.8
[M+NH4]+ 436.22062 207.5
[M+K]+ 457.14996 195.9
[M+H-H2O]+ 401.18406 185.9
[M+HCOO]- 463.18500 213.3
[M+CH3COO]- 477.20065 232.7
[M+Na-2H]- 439.16147 196.8
[M]+ 418.18625 190.7
[M]- 418.18735 190.7
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

patents stripe