CID 58210

101221-55-0

Structural Information

Molecular Formula
C25H24F3NO2
SMILES
CC(CC1=CC(=CC=C1)C(F)(F)F)NCCOC(=O)C2=CC=C(C=C2)C3=CC=CC=C3
InChI
InChI=1S/C25H24F3NO2/c1-18(16-19-6-5-9-23(17-19)25(26,27)28)29-14-15-31-24(30)22-12-10-21(11-13-22)20-7-3-2-4-8-20/h2-13,17-18,29H,14-16H2,1H3
InChIKey
OKSJMZHFRHDVOD-UHFFFAOYSA-N
Compound name
2-[1-[3-(trifluoromethyl)phenyl]propan-2-ylamino]ethyl 4-phenylbenzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

427.1759 Da
Monoisotopic Mass

6.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 428.18318 203.6
[M+Na]+ 450.16512 207.8
[M-H]- 426.16862 208.2
[M+NH4]+ 445.20972 212.1
[M+K]+ 466.13906 201.6
[M+H-H2O]+ 410.17316 190.6
[M+HCOO]- 472.17410 220.1
[M+CH3COO]- 486.18975 229.8
[M+Na-2H]- 448.15057 203.6
[M]+ 427.17535 200.7
[M]- 427.17645 200.7
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.