CID 2253233

304675-31-8

Structural Information

Molecular Formula

C₂₁H₂₆N₂O₃

SMILES

CC(C)C1=CC=C(C=C1)OCC(=O)NC2=CC=C(C=C2)N3CCOCC3

InChI

InChI=1S/C21H26N2O3/c1-16(2)17-3-9-20(10-4-17)26-15-21(24)22-18-5-7-19(8-6-18)23-11-13-25-14-12-23/h3-10,16H,11-15H2,1-2H3,(H,22,24)

InChIKey

PRQDKULBZHMCSK-UHFFFAOYSA-N

Compound name

N-(4-morpholin-4-ylphenyl)-2-(4-propan-2-ylphenoxy)acetamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 0
Patents: 354.19434 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]+	355.201616	187.2
[M+Na]+	377.183558	189.5
[M-H]-	353.187064	194.7
[M+NH4]+	372.228163	195.9
[M+K]+	393.157498	187.0
[M+H-H2O]+	337.191600	176.4
[M+HCOO]-	399.192541	203.7
[M+CH3COO]-	413.208191	216.4
[M+Na-2H]-	375.169006	188.4
[M]+	354.19379142	185.1
[M]-	354.19488858	185.1

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.