CID 3074452

4-(3-(3-methoxyphenoxy)-3-phenylpropyl)morpholine

Structural Information

Molecular Formula
C20H25NO3
SMILES
COC1=CC(=CC=C1)OC(CCN2CCOCC2)C3=CC=CC=C3
InChI
InChI=1S/C20H25NO3/c1-22-18-8-5-9-19(16-18)24-20(17-6-3-2-4-7-17)10-11-21-12-14-23-15-13-21/h2-9,16,20H,10-15H2,1H3
InChIKey
RSIUPJJPSUHWCN-UHFFFAOYSA-N
Compound name
4-[3-(3-methoxyphenoxy)-3-phenylpropyl]morpholine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

327.18344 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 328.19072 179.4
[M+Na]+ 350.17266 182.0
[M-H]- 326.17616 186.6
[M+NH4]+ 345.21726 189.4
[M+K]+ 366.14660 179.7
[M+H-H2O]+ 310.18070 168.6
[M+HCOO]- 372.18164 196.0
[M+CH3COO]- 386.19729 207.6
[M+Na-2H]- 348.15811 182.4
[M]+ 327.18289 178.4
[M]- 327.18399 178.4
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.