CID 52716

Brn 3012492

Structural Information

Molecular Formula
C20H21ClF3NO2
SMILES
CC(CC1=CC(=CC=C1)C(F)(F)F)NCCOC(=O)CC2=CC=C(C=C2)Cl
InChI
InChI=1S/C20H21ClF3NO2/c1-14(11-16-3-2-4-17(12-16)20(22,23)24)25-9-10-27-19(26)13-15-5-7-18(21)8-6-15/h2-8,12,14,25H,9-11,13H2,1H3
InChIKey
DCENVLCJDLDATA-UHFFFAOYSA-N
Compound name
2-[1-[3-(trifluoromethyl)phenyl]propan-2-ylamino]ethyl 2-(4-chlorophenyl)acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

399.12128 Da
Monoisotopic Mass

5.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 400.12856 191.1
[M+Na]+ 422.11050 200.2
[M+NH4]+ 417.15510 195.6
[M+K]+ 438.08444 193.5
[M-H]- 398.11400 190.0
[M+Na-2H]- 420.09595 195.7
[M]+ 399.12073 192.1
[M]- 399.12183 192.1
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.