CID 3046192

N-(alpha-methyl-m-trifluoromethylphenethyl)-p-butylaminophenoxy-acetamide

Structural Information

Molecular Formula
C22H27F3N2O2
SMILES
CCCCNC1=CC=C(C=C1)OCC(=O)NC(C)CC2=CC(=CC=C2)C(F)(F)F
InChI
InChI=1S/C22H27F3N2O2/c1-3-4-12-26-19-8-10-20(11-9-19)29-15-21(28)27-16(2)13-17-6-5-7-18(14-17)22(23,24)25/h5-11,14,16,26H,3-4,12-13,15H2,1-2H3,(H,27,28)
InChIKey
MOZKNIFSZWGYBW-UHFFFAOYSA-N
Compound name
2-[4-(butylamino)phenoxy]-N-[1-[3-(trifluoromethyl)phenyl]propan-2-yl]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

408.20245 Da
Monoisotopic Mass

5.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 409.20973 197.8
[M+Na]+ 431.19167 204.7
[M+NH4]+ 426.23627 201.2
[M+K]+ 447.16561 198.6
[M-H]- 407.19517 196.8
[M+Na-2H]- 429.17712 201.5
[M]+ 408.20190 198.1
[M]- 408.20300 198.1
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.