CID 13394791

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

Structural Information

Molecular Formula
C26H26F3NO2
SMILES
CCN(C(C)CC1=CC(=CC=C1)C(F)(F)F)OC(=O)C(C2=CC=CC=C2)C3=CC=CC=C3
InChI
InChI=1S/C26H26F3NO2/c1-3-30(19(2)17-20-11-10-16-23(18-20)26(27,28)29)32-25(31)24(21-12-6-4-7-13-21)22-14-8-5-9-15-22/h4-16,18-19,24H,3,17H2,1-2H3
InChIKey
WXXSGEJGIPFJTQ-UHFFFAOYSA-N
Compound name
[ethyl-[1-[3-(trifluoromethyl)phenyl]propan-2-yl]amino] 2,2-diphenylacetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

441.19156 Da
Monoisotopic Mass

7.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 442.19884 207.5
[M+Na]+ 464.18078 210.1
[M-H]- 440.18428 213.0
[M+NH4]+ 459.22538 215.6
[M+K]+ 480.15472 205.6
[M+H-H2O]+ 424.18882 194.2
[M+HCOO]- 486.18976 223.0
[M+CH3COO]- 500.20541 235.6
[M+Na-2H]- 462.16623 205.8
[M]+ 441.19101 205.1
[M]- 441.19211 205.1
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.