CID 3046194

N-(alpha-methyl-m-trifluoromethylphenethyl)-p-hexylamino-phenoxyacetamide

Structural Information

Molecular Formula
C24H31F3N2O2
SMILES
CCCCCCNC1=CC=C(C=C1)OCC(=O)NC(C)CC2=CC(=CC=C2)C(F)(F)F
InChI
InChI=1S/C24H31F3N2O2/c1-3-4-5-6-14-28-21-10-12-22(13-11-21)31-17-23(30)29-18(2)15-19-8-7-9-20(16-19)24(25,26)27/h7-13,16,18,28H,3-6,14-15,17H2,1-2H3,(H,29,30)
InChIKey
SXEKPKPWUPYOCU-UHFFFAOYSA-N
Compound name
2-[4-(hexylamino)phenoxy]-N-[1-[3-(trifluoromethyl)phenyl]propan-2-yl]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

436.23376 Da
Monoisotopic Mass

6.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 437.24104 208.0
[M+Na]+ 459.22298 210.5
[M-H]- 435.22648 209.0
[M+NH4]+ 454.26758 216.4
[M+K]+ 475.19692 205.1
[M+H-H2O]+ 419.23102 195.6
[M+HCOO]- 481.23196 224.6
[M+CH3COO]- 495.24761 236.1
[M+Na-2H]- 457.20843 206.6
[M]+ 436.23321 206.6
[M]- 436.23431 206.6
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.