CID 720987

3-benzooxazol-2-yl-phenylamine

Structural Information

Molecular Formula

C₁₃H₁₀N₂O

SMILES

C1=CC=C2C(=C1)N=C(O2)C3=CC(=CC=C3)N

InChI

InChI=1S/C13H10N2O/c14-10-5-3-4-9(8-10)13-15-11-6-1-2-7-12(11)16-13/h1-8H,14H2

InChIKey

WHVJDKRJPAKQIO-UHFFFAOYSA-N

Compound name

3-(1,3-benzoxazol-2-yl)aniline

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 3
References: 67
Patents: 210.07932 Da
Monoisotopic Mass: 2.7
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]+	211.08660	143.3
[M+Na]+	233.06854	159.3
[M+NH4]+	228.11314	153.0
[M+K]+	249.04248	153.4
[M-H]-	209.07204	150.1
[M+Na-2H]-	231.05399	153.1
[M]+	210.07877	147.7
[M]-	210.07987	147.7

Literature stripe

literature stripe

Patent stripe

patents stripe