CID 88571

Brn 1006213

Structural Information

Molecular Formula

C₁₇H₁₆N₂O₂

SMILES

C1=CC=C(C=C1)C2=C(OC(=N2)NCCO)C3=CC=CC=C3

InChI

InChI=1S/C17H16N2O2/c20-12-11-18-17-19-15(13-7-3-1-4-8-13)16(21-17)14-9-5-2-6-10-14/h1-10,20H,11-12H2,(H,18,19)

InChIKey

QLQCGYKBQYMJFD-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 280.1212 Da
Monoisotopic Mass: 3.3
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]+	281.128476	163.2
[M+Na]+	303.110418	170.3
[M-H]-	279.113924	171.3
[M+NH4]+	298.155023	176.9
[M+K]+	319.084358	166.2
[M+H-H2O]+	263.118460	154.3
[M+HCOO]-	325.119401	186.5
[M+CH3COO]-	339.135051	175.0
[M+Na-2H]-	301.095866	168.8
[M]+	280.12065142	163.8
[M]-	280.12174858	163.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe