CID 214449

33162-00-4

Structural Information

Molecular Formula

C₁₆H₁₄N₂O

SMILES

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

InChI

InChI=1S/C16H14N2O/c17-11-14-18-15(12-7-3-1-4-8-12)16(19-14)13-9-5-2-6-10-13/h1-10H,11,17H2

InChIKey

HXBYJNCNTRDVGJ-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 250.11061 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]+	251.11789	157.6
[M+Na]+	273.09983	173.1
[M+NH4]+	268.14443	166.7
[M+K]+	289.07377	166.8
[M-H]-	249.10333	165.8
[M+Na-2H]-	271.08528	168.4
[M]+	250.11006	162.3
[M]-	250.11116	162.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe