CID 139600706

140431-51-2

Structural Information

Molecular Formula

C₁₉H₂₃NO₄

SMILES

CCOC1=C(C=CC(=C1)O)OC(C2CNCCO2)C3=CC=CC=C3

InChI

InChI=1S/C19H23NO4/c1-2-22-17-12-15(21)8-9-16(17)24-19(14-6-4-3-5-7-14)18-13-20-10-11-23-18/h3-9,12,18-21H,2,10-11,13H2,1H3

InChIKey

KWIARTUNLAUWCQ-UHFFFAOYSA-N

Compound name

3-ethoxy-4-[morpholin-2-yl(phenyl)methoxy]phenol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 66
Patents: 329.16272 Da
Monoisotopic Mass: 2.7
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]+	330.169996	178.1
[M+Na]+	352.151938	181.0
[M-H]-	328.155444	183.2
[M+NH4]+	347.196543	186.8
[M+K]+	368.125878	178.0
[M+H-H2O]+	312.159980	168.1
[M+HCOO]-	374.160921	192.2
[M+CH3COO]-	388.176571	203.3
[M+Na-2H]-	350.137386	180.2
[M]+	329.16217142	175.1
[M]-	329.16326858	175.1

Literature stripe

literature stripe

Patent stripe

patents stripe