CID 3054704

Brn 1160254

Structural Information

Molecular Formula

C₂₁H₂₇NO₃

SMILES

CC(C)N1CCOC(C1)C(C2=CC=CC=C2)OC3=CC=CC=C3OC

InChI

InChI=1S/C21H27NO3/c1-16(2)22-13-14-24-20(15-22)21(17-9-5-4-6-10-17)25-19-12-8-7-11-18(19)23-3/h4-12,16,20-21H,13-15H2,1-3H3

InChIKey

FETYGEGQBDNCCS-UHFFFAOYSA-N

Compound name

2-[(2-methoxyphenoxy)-phenylmethyl]-4-propan-2-ylmorpholine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 22
Patents: 341.1991 Da
Monoisotopic Mass: 3.9
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]+	342.206376	184.2
[M+Na]+	364.188318	187.0
[M-H]-	340.191824	191.7
[M+NH4]+	359.232923	193.8
[M+K]+	380.162258	185.1
[M+H-H2O]+	324.196360	173.6
[M+HCOO]-	386.197301	199.4
[M+CH3COO]-	400.212951	212.7
[M+Na-2H]-	362.173766	184.8
[M]+	341.19855142	183.4
[M]-	341.19964858	183.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe