CID 3051488

67466-00-6

Structural Information

Molecular Formula

C₂₂H₂₇NO₃

SMILES

C1COCCN1CCOC(=O)C(CC2=CC=CC=C2)CC3=CC=CC=C3

InChI

InChI=1S/C22H27NO3/c24-22(26-16-13-23-11-14-25-15-12-23)21(17-19-7-3-1-4-8-19)18-20-9-5-2-6-10-20/h1-10,21H,11-18H2

InChIKey

JFABDAQQUMPEPJ-UHFFFAOYSA-N

Compound name

2-morpholin-4-ylethyl 2-benzyl-3-phenylpropanoate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 353.1991 Da
Monoisotopic Mass: 3.7
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]+	354.206376	187.5
[M+Na]+	376.188318	188.3
[M-H]-	352.191824	194.0
[M+NH4]+	371.232923	195.9
[M+K]+	392.162258	185.5
[M+H-H2O]+	336.196360	176.3
[M+HCOO]-	398.197301	202.6
[M+CH3COO]-	412.212951	211.9
[M+Na-2H]-	374.173766	188.9
[M]+	353.19855142	185.4
[M]-	353.19964858	185.4

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.