CID 43114839

13591-17-8

Structural Information

Molecular Formula

C₁₄H₁₂N₂O

SMILES

C1=CC=C(C=C1)C(C2=NC3=CC=CC=C3O2)N

InChI

InChI=1S/C14H12N2O/c15-13(10-6-2-1-3-7-10)14-16-11-8-4-5-9-12(11)17-14/h1-9,13H,15H2

InChIKey

FGVNWEYDFMDJSJ-UHFFFAOYSA-N

Compound name

1,3-benzoxazol-2-yl(phenyl)methanamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 224.09496 Da
Monoisotopic Mass: 2.4
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	147.6
[M+Na]+	247.08418	156.6
[M-H]-	223.08768	154.7
[M+NH4]+	242.12878	165.3
[M+K]+	263.05812	153.3
[M+H-H2O]+	207.09222	139.9
[M+HCOO]-	269.09316	171.5
[M+CH3COO]-	283.10881	161.0
[M+Na-2H]-	245.06963	155.3
[M]+	224.09441	148.4
[M]-	224.09551	148.4

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.