CID 3042059

59004-60-3

Structural Information

Molecular Formula

C₁₇H₁₉NO₂

SMILES

CC(C1=CC=CC=C1)N2CC3=C(C(=CC=C3)OC)OC2

InChI

InChI=1S/C17H19NO2/c1-13(14-7-4-3-5-8-14)18-11-15-9-6-10-16(19-2)17(15)20-12-18/h3-10,13H,11-12H2,1-2H3

InChIKey

CTKOKSZTCSYSMC-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 255
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	162.8
[M+Na]+	292.130788	169.0
[M-H]-	268.134294	169.0
[M+NH4]+	287.175393	177.1
[M+K]+	308.104728	166.5
[M+H-H2O]+	252.138830	153.7
[M+HCOO]-	314.139771	180.1
[M+CH3COO]-	328.155421	173.9
[M+Na-2H]-	290.116236	168.3
[M]+	269.14102142	162.7
[M]-	269.14211858	162.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe