CID 208628

32650-72-9

Structural Information

Molecular Formula
C21H26ClNO4
SMILES
COC1=CC(=CC(=C1OCCN2CCOCC2)OC)CC3=CC=C(C=C3)Cl
InChI
InChI=1S/C21H26ClNO4/c1-24-19-14-17(13-16-3-5-18(22)6-4-16)15-20(25-2)21(19)27-12-9-23-7-10-26-11-8-23/h3-6,14-15H,7-13H2,1-2H3
InChIKey
SYSWKYHOTLNNFP-UHFFFAOYSA-N
Compound name
4-[2-[4-[(4-chlorophenyl)methyl]-2,6-dimethoxyphenoxy]ethyl]morpholine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

391.15503 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 392.16231 194.0
[M+Na]+ 414.14425 199.8
[M-H]- 390.14775 201.9
[M+NH4]+ 409.18885 203.2
[M+K]+ 430.11819 196.1
[M+H-H2O]+ 374.15229 183.6
[M+HCOO]- 436.15323 206.7
[M+CH3COO]- 450.16888 218.9
[M+Na-2H]- 412.12970 195.0
[M]+ 391.15448 199.0
[M]- 391.15558 199.0
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.