CID 6447326

Alpha-methyl-n-(3-phenylallyl)-m-trifluoromethylphenethylamine

Structural Information

Molecular Formula
C19H20F3N
SMILES
CC(CC1=CC(=CC=C1)C(F)(F)F)NC/C=C/C2=CC=CC=C2
InChI
InChI=1S/C19H20F3N/c1-15(23-12-6-10-16-7-3-2-4-8-16)13-17-9-5-11-18(14-17)19(20,21)22/h2-11,14-15,23H,12-13H2,1H3/b10-6+
InChIKey
DWMOMPIWTFFQAY-UXBLZVDNSA-N
Compound name
N-[(E)-3-phenylprop-2-enyl]-1-[3-(trifluoromethyl)phenyl]propan-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

319.1548 Da
Monoisotopic Mass

5.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 320.16208 175.1
[M+Na]+ 342.14402 180.5
[M-H]- 318.14752 177.0
[M+NH4]+ 337.18862 188.9
[M+K]+ 358.11796 174.2
[M+H-H2O]+ 302.15206 164.4
[M+HCOO]- 364.15300 193.2
[M+CH3COO]- 378.16865 210.2
[M+Na-2H]- 340.12947 177.6
[M]+ 319.15425 170.2
[M]- 319.15535 170.2
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.