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 198.9
[M+Na]+ 431.19167 202.3
[M-H]- 407.19517 200.5
[M+NH4]+ 426.23627 208.6
[M+K]+ 447.16561 197.4
[M+H-H2O]+ 391.19971 187.0
[M+HCOO]- 453.20065 216.3
[M+CH3COO]- 467.21630 230.2
[M+Na-2H]- 429.17712 198.6
[M]+ 408.20190 196.9
[M]- 408.20300 196.9
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.