CID 208528

Brn 1224842

Structural Information

Molecular Formula

C₂₀H₂₂N₂O₃

SMILES

C1=CC=C(C=C1)C2=C(OC(=N2)CN(CCO)CCO)C3=CC=CC=C3

InChI

InChI=1S/C20H22N2O3/c23-13-11-22(12-14-24)15-18-21-19(16-7-3-1-4-8-16)20(25-18)17-9-5-2-6-10-17/h1-10,23-24H,11-15H2

InChIKey

IYKDDRQDLCCRLQ-UHFFFAOYSA-N

Compound name

2-[(4,5-diphenyl-1,3-oxazol-2-yl)methyl-(2-hydroxyethyl)amino]ethanol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 338.16306 Da
Monoisotopic Mass: 2.9
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]+	339.170336	180.4
[M+Na]+	361.152278	185.5
[M-H]-	337.155784	188.0
[M+NH4]+	356.196883	191.4
[M+K]+	377.126218	182.0
[M+H-H2O]+	321.160320	170.8
[M+HCOO]-	383.161261	201.7
[M+CH3COO]-	397.176911	210.2
[M+Na-2H]-	359.137726	183.2
[M]+	338.16251142	182.6
[M]-	338.16360858	182.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe