CID 3057375

4-(2-(alpha-(alpha,alpha,alpha-trifluoro-p-tolyl)benzyloxy)ethyl)morpholine fumarate

Structural Information

Molecular Formula
C20H22F3NO2
SMILES
C1COCCN1CCOC(C2=CC=CC=C2)C3=CC=C(C=C3)C(F)(F)F
InChI
InChI=1S/C20H22F3NO2/c21-20(22,23)18-8-6-17(7-9-18)19(16-4-2-1-3-5-16)26-15-12-24-10-13-25-14-11-24/h1-9,19H,10-15H2
InChIKey
PNOVFEBZYDYQQJ-UHFFFAOYSA-N
Compound name
4-[2-[phenyl-[4-(trifluoromethyl)phenyl]methoxy]ethyl]morpholine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

365.16028 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 366.16756 189.9
[M+Na]+ 388.14950 199.7
[M+NH4]+ 383.19410 194.9
[M+K]+ 404.12344 192.8
[M-H]- 364.15300 191.3
[M+Na-2H]- 386.13495 195.4
[M]+ 365.15973 191.5
[M]- 365.16083 191.5
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.