CID 13394785

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

Structural Information

Molecular Formula
C21H24F3NO3
SMILES
CCN(C(C)CC1=CC(=CC=C1)C(F)(F)F)OC(=O)C2=CC=CC=C2OCC
InChI
InChI=1S/C21H24F3NO3/c1-4-25(28-20(26)18-11-6-7-12-19(18)27-5-2)15(3)13-16-9-8-10-17(14-16)21(22,23)24/h6-12,14-15H,4-5,13H2,1-3H3
InChIKey
WCAKGVBIOWNBIK-UHFFFAOYSA-N
Compound name
[ethyl-[1-[3-(trifluoromethyl)phenyl]propan-2-yl]amino] 2-ethoxybenzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

395.17084 Da
Monoisotopic Mass

6.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 396.17812 193.9
[M+Na]+ 418.16006 198.7
[M-H]- 394.16356 197.2
[M+NH4]+ 413.20466 205.0
[M+K]+ 434.13400 196.0
[M+H-H2O]+ 378.16810 182.3
[M+HCOO]- 440.16904 211.3
[M+CH3COO]- 454.18469 227.5
[M+Na-2H]- 416.14551 193.0
[M]+ 395.17029 194.9
[M]- 395.17139 194.9
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.