CID 214436

33161-91-0

Structural Information

Molecular Formula

C₁₈H₁₈N₂O

SMILES

CNCCC1=NC(=C(O1)C2=CC=CC=C2)C3=CC=CC=C3

InChI

InChI=1S/C18H18N2O/c1-19-13-12-16-20-17(14-8-4-2-5-9-14)18(21-16)15-10-6-3-7-11-15/h2-11,19H,12-13H2,1H3

InChIKey

JPEUECAITJAECO-UHFFFAOYSA-N

Compound name

2-(4,5-diphenyl-1,3-oxazol-2-yl)-N-methylethanamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 6
Patents: 278.1419 Da
Monoisotopic Mass: 4.3
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]+	279.149176	164.9
[M+Na]+	301.131118	172.2
[M-H]-	277.134624	174.1
[M+NH4]+	296.175723	179.4
[M+K]+	317.105058	168.0
[M+H-H2O]+	261.139160	155.7
[M+HCOO]-	323.140101	189.1
[M+CH3COO]-	337.155751	177.0
[M+Na-2H]-	299.116566	170.2
[M]+	278.14135142	166.1
[M]-	278.14244858	166.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe