CID 13394784

N-ethyl-n-((2-methoxybenzoyl)oxy)-alpha-methyl-3-(trifluoromethyl)benzeneethanamine

Structural Information

Molecular Formula
C20H22F3NO3
SMILES
CCN(C(C)CC1=CC(=CC=C1)C(F)(F)F)OC(=O)C2=CC=CC=C2OC
InChI
InChI=1S/C20H22F3NO3/c1-4-24(27-19(25)17-10-5-6-11-18(17)26-3)14(2)12-15-8-7-9-16(13-15)20(21,22)23/h5-11,13-14H,4,12H2,1-3H3
InChIKey
ZELIGGZFSBDUNM-UHFFFAOYSA-N
Compound name
[ethyl-[1-[3-(trifluoromethyl)phenyl]propan-2-yl]amino] 2-methoxybenzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

381.15518 Da
Monoisotopic Mass

5.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 382.16246 190.4
[M+Na]+ 404.14440 198.6
[M+NH4]+ 399.18900 194.3
[M+K]+ 420.11834 193.4
[M-H]- 380.14790 189.1
[M+Na-2H]- 402.12985 194.6
[M]+ 381.15463 190.9
[M]- 381.15573 190.9
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.