CID 3074454

4-(3-(3,4-dimethoxyphenoxy)-3-phenylpropyl)morpholine

Structural Information

Molecular Formula
C21H27NO4
SMILES
COC1=C(C=C(C=C1)OC(CCN2CCOCC2)C3=CC=CC=C3)OC
InChI
InChI=1S/C21H27NO4/c1-23-20-9-8-18(16-21(20)24-2)26-19(17-6-4-3-5-7-17)10-11-22-12-14-25-15-13-22/h3-9,16,19H,10-15H2,1-2H3
InChIKey
RIMYWGZBXQDWKV-UHFFFAOYSA-N
Compound name
4-[3-(3,4-dimethoxyphenoxy)-3-phenylpropyl]morpholine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

357.194 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 358.20128 187.3
[M+Na]+ 380.18322 200.6
[M+NH4]+ 375.22782 194.4
[M+K]+ 396.15716 193.2
[M-H]- 356.18672 193.9
[M+Na-2H]- 378.16867 195.0
[M]+ 357.19345 191.1
[M]- 357.19455 191.1
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.