CID 13394787

N-((2,4-dimethoxybenzoyl)oxy)-n-ethyl-alpha-methyl-3-(trifluoromethyl)benzeneethanamine

Structural Information

Molecular Formula
C21H24F3NO4
SMILES
CCN(C(C)CC1=CC(=CC=C1)C(F)(F)F)OC(=O)C2=C(C=C(C=C2)OC)OC
InChI
InChI=1S/C21H24F3NO4/c1-5-25(14(2)11-15-7-6-8-16(12-15)21(22,23)24)29-20(26)18-10-9-17(27-3)13-19(18)28-4/h6-10,12-14H,5,11H2,1-4H3
InChIKey
YAIUMTSMTSHMQV-UHFFFAOYSA-N
Compound name
[ethyl-[1-[3-(trifluoromethyl)phenyl]propan-2-yl]amino] 2,4-dimethoxybenzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

411.16574 Da
Monoisotopic Mass

5.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 412.17302 197.7
[M+Na]+ 434.15496 205.5
[M+NH4]+ 429.19956 200.8
[M+K]+ 450.12890 200.8
[M-H]- 410.15846 195.9
[M+Na-2H]- 432.14041 201.0
[M]+ 411.16519 197.9
[M]- 411.16629 197.9
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.