CID 200559

N,n-dimethyl-2-(alpha-(alpha,alpha,alpha-trifluoro-p-tolyl)benzyloxy)propylamine fumarate

Structural Information

Molecular Formula
C19H22F3NO
SMILES
CC(CN(C)C)OC(C1=CC=CC=C1)C2=CC=C(C=C2)C(F)(F)F
InChI
InChI=1S/C19H22F3NO/c1-14(13-23(2)3)24-18(15-7-5-4-6-8-15)16-9-11-17(12-10-16)19(20,21)22/h4-12,14,18H,13H2,1-3H3
InChIKey
AYISXCNCUXGUPW-UHFFFAOYSA-N
Compound name
N,N-dimethyl-2-[phenyl-[4-(trifluoromethyl)phenyl]methoxy]propan-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

337.16534 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 338.17262 181.2
[M+Na]+ 360.15456 190.1
[M+NH4]+ 355.19916 186.6
[M+K]+ 376.12850 184.1
[M-H]- 336.15806 181.0
[M+Na-2H]- 358.14001 186.8
[M]+ 337.16479 182.2
[M]- 337.16589 182.2
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.