CID 3043275

Brn 1124676

Structural Information

Molecular Formula

C₁₇H₁₉NO₂

SMILES

COC1=CC=CC2=C1OCN(C2)CCC3=CC=CC=C3

InChI

InChI=1S/C17H19NO2/c1-19-16-9-5-8-15-12-18(13-20-17(15)16)11-10-14-6-3-2-4-7-14/h2-9H,10-13H2,1H3

InChIKey

KHPMSYOTKIZMHZ-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 269.14157 Da
Monoisotopic Mass: 3.5
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]+	270.148846	162.5
[M+Na]+	292.130788	169.1
[M-H]-	268.134294	168.6
[M+NH4]+	287.175393	177.0
[M+K]+	308.104728	166.1
[M+H-H2O]+	252.138830	153.3
[M+HCOO]-	314.139771	180.9
[M+CH3COO]-	328.155421	173.8
[M+Na-2H]-	290.116236	169.3
[M]+	269.14102142	163.1
[M]-	269.14211858	163.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe