CID 644436

2-o-tolyl-benzooxazol-5-ylamine

Structural Information

Molecular Formula

C₁₄H₁₂N₂O

SMILES

CC1=CC=CC=C1C2=NC3=C(O2)C=CC(=C3)N

InChI

InChI=1S/C14H12N2O/c1-9-4-2-3-5-11(9)14-16-12-8-10(15)6-7-13(12)17-14/h2-8H,15H2,1H3

InChIKey

UETQYGACINQVKI-UHFFFAOYSA-N

Compound name

2-(2-methylphenyl)-1,3-benzoxazol-5-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 6
References: 94
Patents: 224.09496 Da
Monoisotopic Mass: 3.1
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]+	225.10224	147.9
[M+Na]+	247.08418	164.1
[M+NH4]+	242.12878	157.5
[M+K]+	263.05812	158.2
[M-H]-	223.08768	154.8
[M+Na-2H]-	245.06963	157.2
[M]+	224.09441	152.4
[M]-	224.09551	152.4

Literature stripe

literature stripe

Patent stripe

patents stripe