CID 48261

66902-51-0

Structural Information

Molecular Formula

C₂₁H₂₅NO₃

SMILES

C1COCCN1CCCOC(=O)C(C2=CC=CC=C2)C3=CC=CC=C3

InChI

InChI=1S/C21H25NO3/c23-21(25-15-7-12-22-13-16-24-17-14-22)20(18-8-3-1-4-9-18)19-10-5-2-6-11-19/h1-6,8-11,20H,7,12-17H2

InChIKey

LVHAVUFULDBFSR-UHFFFAOYSA-N

Compound name

3-morpholin-4-ylpropyl 2,2-diphenylacetate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 339.18344 Da
Monoisotopic Mass: 3.4
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]+	340.190716	183.0
[M+Na]+	362.172658	184.2
[M-H]-	338.176164	189.7
[M+NH4]+	357.217263	192.0
[M+K]+	378.146598	181.6
[M+H-H2O]+	322.180700	172.1
[M+HCOO]-	384.181641	198.4
[M+CH3COO]-	398.197291	208.9
[M+Na-2H]-	360.158106	185.0
[M]+	339.18289142	180.6
[M]-	339.18398858	180.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe