CID 208256

Brn 1170976

Structural Information

Molecular Formula
C21H27NO4
SMILES
COC1=CC(=CC(=C1OCCN2CCOCC2)OC)CC3=CC=CC=C3
InChI
InChI=1S/C21H27NO4/c1-23-19-15-18(14-17-6-4-3-5-7-17)16-20(24-2)21(19)26-13-10-22-8-11-25-12-9-22/h3-7,15-16H,8-14H2,1-2H3
InChIKey
XWFDMHFAEKJJJZ-UHFFFAOYSA-N
Compound name
4-[2-(4-benzyl-2,6-dimethoxyphenoxy)ethyl]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 187.3
[M+Na]+ 380.183218 191.5
[M-H]- 356.186724 195.1
[M+NH4]+ 375.227823 196.7
[M+K]+ 396.157158 189.3
[M+H-H2O]+ 340.191260 176.3
[M+HCOO]- 402.192201 204.7
[M+CH3COO]- 416.207851 214.2
[M+Na-2H]- 378.168666 189.5
[M]+ 357.19345142 189.6
[M]- 357.19454858 189.6
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.