CID 52730

Brn 3006342

Structural Information

Molecular Formula
C20H22F3NO2
SMILES
CC1=CC=C(C=C1)C(=O)OCCNC(C)CC2=CC(=CC=C2)C(F)(F)F
InChI
InChI=1S/C20H22F3NO2/c1-14-6-8-17(9-7-14)19(25)26-11-10-24-15(2)12-16-4-3-5-18(13-16)20(21,22)23/h3-9,13,15,24H,10-12H2,1-2H3
InChIKey
ABJDGBRPCQEOIT-UHFFFAOYSA-N
Compound name
2-[1-[3-(trifluoromethyl)phenyl]propan-2-ylamino]ethyl 4-methylbenzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

365.16028 Da
Monoisotopic Mass

5.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 366.16756 188.2
[M+Na]+ 388.14950 196.7
[M+NH4]+ 383.19410 192.4
[M+K]+ 404.12344 190.5
[M-H]- 364.15300 187.0
[M+Na-2H]- 386.13495 192.5
[M]+ 365.15973 188.8
[M]- 365.16083 188.8
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

patents stripe