CID 3047879

63868-52-0

Structural Information

Molecular Formula

C₂₀H₂₃NO₅

SMILES

COC1=CC(=CC(=C1OCC2=CC=CC=C2)OC)C(=O)N3CCOCC3

InChI

InChI=1S/C20H23NO5/c1-23-17-12-16(20(22)21-8-10-25-11-9-21)13-18(24-2)19(17)26-14-15-6-4-3-5-7-15/h3-7,12-13H,8-11,14H2,1-2H3

InChIKey

SOJNZLHAYIICJR-UHFFFAOYSA-N

Compound name

(3,5-dimethoxy-4-phenylmethoxyphenyl)-morpholin-4-ylmethanone

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 357.15762 Da
Monoisotopic Mass: 2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	358.164896	184.6
[M+Na]+	380.146838	189.1
[M-H]-	356.150344	192.7
[M+NH4]+	375.191443	193.8
[M+K]+	396.120778	187.8
[M+H-H2O]+	340.154880	173.9
[M+HCOO]-	402.155821	201.8
[M+CH3COO]-	416.171471	213.0
[M+Na-2H]-	378.132286	186.4
[M]+	357.15707142	186.6
[M]-	357.15816858	186.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe