CID 3043279

Brn 1131522

Structural Information

Molecular Formula

C₁₉H₂₃NO₂

SMILES

CCCOC1=CC=CC2=C1OCN(C2)CCC3=CC=CC=C3

InChI

InChI=1S/C19H23NO2/c1-2-13-21-18-10-6-9-17-14-20(15-22-19(17)18)12-11-16-7-4-3-5-8-16/h3-10H,2,11-15H2,1H3

InChIKey

VBKTZVWPGYALFU-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 297.17288 Da
Monoisotopic Mass: 4.4
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]+	298.180156	171.9
[M+Na]+	320.162098	177.5
[M-H]-	296.165604	177.5
[M+NH4]+	315.206703	185.1
[M+K]+	336.136038	174.0
[M+H-H2O]+	280.170140	162.2
[M+HCOO]-	342.171081	189.5
[M+CH3COO]-	356.186731	182.1
[M+Na-2H]-	318.147546	177.4
[M]+	297.17233142	173.0
[M]-	297.17342858	173.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe