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 196.4
[M+Na]+ 434.15496 201.9
[M-H]- 410.15846 200.1
[M+NH4]+ 429.19956 207.1
[M+K]+ 450.12890 200.1
[M+H-H2O]+ 394.16300 184.8
[M+HCOO]- 456.16394 214.0
[M+CH3COO]- 470.17959 230.8
[M+Na-2H]- 432.14041 195.0
[M]+ 411.16519 199.3
[M]- 411.16629 199.3
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.