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]+ 358.20128 187.3
[M+Na]+ 380.18322 191.5
[M-H]- 356.18672 195.1
[M+NH4]+ 375.22782 196.7
[M+K]+ 396.15716 189.3
[M+H-H2O]+ 340.19126 176.3
[M+HCOO]- 402.19220 204.7
[M+CH3COO]- 416.20785 214.2
[M+Na-2H]- 378.16867 189.5
[M]+ 357.19345 189.6
[M]- 357.19455 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.