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 187.1
[M+Na]+ 380.18322 190.0
[M-H]- 356.18672 194.5
[M+NH4]+ 375.22782 196.0
[M+K]+ 396.15716 188.2
[M+H-H2O]+ 340.19126 176.0
[M+HCOO]- 402.19220 203.5
[M+CH3COO]- 416.20785 213.9
[M+Na-2H]- 378.16867 188.9
[M]+ 357.19345 188.3
[M]- 357.19455 188.3
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.