CID 52726

Brn 3007803

Structural Information

Molecular Formula
C20H22F3NO2
SMILES
CC(CC1=CC(=CC=C1)C(F)(F)F)NCCOC(=O)CC2=CC=CC=C2
InChI
InChI=1S/C20H22F3NO2/c1-15(12-17-8-5-9-18(13-17)20(21,22)23)24-10-11-26-19(25)14-16-6-3-2-4-7-16/h2-9,13,15,24H,10-12,14H2,1H3
InChIKey
KOMFMWIQAFHLSK-UHFFFAOYSA-N
Compound name
2-[1-[3-(trifluoromethyl)phenyl]propan-2-ylamino]ethyl 2-phenylacetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

365.16028 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 366.16756 187.6
[M+Na]+ 388.14950 195.7
[M+NH4]+ 383.19410 191.8
[M+K]+ 404.12344 189.4
[M-H]- 364.15300 186.4
[M+Na-2H]- 386.13495 192.2
[M]+ 365.15973 188.1
[M]- 365.16083 188.1
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.