CID 3074450

4-(3-phenoxy-3-phenylpropyl)morpholine

Structural Information

Molecular Formula
C19H23NO2
SMILES
C1COCCN1CCC(C2=CC=CC=C2)OC3=CC=CC=C3
InChI
InChI=1S/C19H23NO2/c1-3-7-17(8-4-1)19(22-18-9-5-2-6-10-18)11-12-20-13-15-21-16-14-20/h1-10,19H,11-16H2
InChIKey
XJTDOUQOGCDNNL-UHFFFAOYSA-N
Compound name
4-(3-phenoxy-3-phenylpropyl)morpholine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

297.17288 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 298.18016 171.5
[M+Na]+ 320.16210 173.7
[M-H]- 296.16560 178.4
[M+NH4]+ 315.20670 182.5
[M+K]+ 336.13604 171.0
[M+H-H2O]+ 280.17014 161.0
[M+HCOO]- 342.17108 188.2
[M+CH3COO]- 356.18673 180.7
[M+Na-2H]- 318.14755 175.7
[M]+ 297.17233 168.4
[M]- 297.17343 168.4
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.