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]+ 358.201276 187.1
[M+Na]+ 380.183218 190.0
[M-H]- 356.186724 194.5
[M+NH4]+ 375.227823 196.0
[M+K]+ 396.157158 188.2
[M+H-H2O]+ 340.191260 176.0
[M+HCOO]- 402.192201 203.5
[M+CH3COO]- 416.207851 213.9
[M+Na-2H]- 378.168666 188.9
[M]+ 357.19345142 188.3
[M]- 357.19454858 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.