CID 203656

(+)-n,alpha-dimethyl-n-(m-(trifluoromethyl)benzyl)phenethylamine hydrochloride

Structural Information

Molecular Formula
C18H20F3N
SMILES
CC(CC1=CC=CC=C1)N(C)CC2=CC(=CC=C2)C(F)(F)F
InChI
InChI=1S/C18H20F3N/c1-14(11-15-7-4-3-5-8-15)22(2)13-16-9-6-10-17(12-16)18(19,20)21/h3-10,12,14H,11,13H2,1-2H3
InChIKey
QNWCUEXTONCISA-UHFFFAOYSA-N
Compound name
N-methyl-1-phenyl-N-[[3-(trifluoromethyl)phenyl]methyl]propan-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

307.1548 Da
Monoisotopic Mass

5.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 308.16208 171.5
[M+Na]+ 330.14402 177.0
[M-H]- 306.14752 174.9
[M+NH4]+ 325.18862 186.3
[M+K]+ 346.11796 173.0
[M+H-H2O]+ 290.15206 160.7
[M+HCOO]- 352.15300 190.1
[M+CH3COO]- 366.16865 212.2
[M+Na-2H]- 328.12947 173.8
[M]+ 307.15425 168.3
[M]- 307.15535 168.3
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.