CID 3042055

Fs-184

Structural Information

Molecular Formula

C₂₂H₂₁NO₂

SMILES

C1C2=C(C(=CC=C2)OC3=CC=CC=C3)OCN1CCC4=CC=CC=C4

InChI

InChI=1S/C22H21NO2/c1-3-8-18(9-4-1)14-15-23-16-19-10-7-13-21(22(19)24-17-23)25-20-11-5-2-6-12-20/h1-13H,14-17H2

InChIKey

BPDXEFDZTFBKOC-UHFFFAOYSA-N

Compound name

8-phenoxy-3-(2-phenylethyl)-2,4-dihydro-1,3-benzoxazine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 331.15723 Da
Monoisotopic Mass: 5.1
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]+	332.164506	179.6
[M+Na]+	354.146448	185.1
[M-H]-	330.149954	188.2
[M+NH4]+	349.191053	190.6
[M+K]+	370.120388	180.4
[M+H-H2O]+	314.154490	168.3
[M+HCOO]-	376.155431	197.3
[M+CH3COO]-	390.171081	189.3
[M+Na-2H]-	352.131896	185.7
[M]+	331.15668142	178.8
[M]-	331.15777858	178.8

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.