CID 214420

Oxazole, 2-(((2-(dimethylamino)ethyl)amino)methyl)-4,5-diphenyl-, dihydrochloride

Structural Information

Molecular Formula

C₂₀H₂₃N₃O

SMILES

CN(C)CCNCC1=NC(=C(O1)C2=CC=CC=C2)C3=CC=CC=C3

InChI

InChI=1S/C20H23N3O/c1-23(2)14-13-21-15-18-22-19(16-9-5-3-6-10-16)20(24-18)17-11-7-4-8-12-17/h3-12,21H,13-15H2,1-2H3

InChIKey

IPXYKEDXJQXVAQ-UHFFFAOYSA-N

Compound name

N-[(4,5-diphenyl-1,3-oxazol-2-yl)methyl]-N',N'-dimethylethane-1,2-diamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 321.1841 Da
Monoisotopic Mass: 3.8
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]+	322.191376	178.4
[M+Na]+	344.173318	183.9
[M-H]-	320.176824	188.6
[M+NH4]+	339.217923	191.4
[M+K]+	360.147258	180.7
[M+H-H2O]+	304.181360	168.2
[M+HCOO]-	366.182301	203.4
[M+CH3COO]-	380.197951	215.8
[M+Na-2H]-	342.158766	182.4
[M]+	321.18355142	180.9
[M]-	321.18464858	180.9

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.