CID 52782

Brn 3039709

Structural Information

Molecular Formula
C21H24F3NO2
SMILES
CC(CC1=CC(=CC=C1)C(F)(F)F)NCCOC(=O)CCC2=CC=CC=C2
InChI
InChI=1S/C21H24F3NO2/c1-16(14-18-8-5-9-19(15-18)21(22,23)24)25-12-13-27-20(26)11-10-17-6-3-2-4-7-17/h2-9,15-16,25H,10-14H2,1H3
InChIKey
PSAXPXGQNYORKC-UHFFFAOYSA-N
Compound name
2-[1-[3-(trifluoromethyl)phenyl]propan-2-ylamino]ethyl 3-phenylpropanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

379.1759 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 380.18318 191.1
[M+Na]+ 402.16512 195.0
[M-H]- 378.16862 192.6
[M+NH4]+ 397.20972 202.1
[M+K]+ 418.13906 190.1
[M+H-H2O]+ 362.17316 179.6
[M+HCOO]- 424.17410 207.9
[M+CH3COO]- 438.18975 221.0
[M+Na-2H]- 400.15057 191.5
[M]+ 379.17535 189.1
[M]- 379.17645 189.1
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.