CID 327657

65441-03-4

Structural Information

Molecular Formula

C₁₅H₁₁NO₃

SMILES

COC1=CC=C(C=C1)C2=NOC(=O)C3=CC=CC=C32

InChI

InChI=1S/C15H11NO3/c1-18-11-8-6-10(7-9-11)14-12-4-2-3-5-13(12)15(17)19-16-14/h2-9H,1H3

InChIKey

WWULRTBTOURGHJ-UHFFFAOYSA-N

Compound name

4-(4-methoxyphenyl)-2,3-benzoxazin-1-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 253.0739 Da
Monoisotopic Mass: 3.2
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]+	254.08118	153.7
[M+Na]+	276.06312	164.3
[M-H]-	252.06662	161.4
[M+NH4]+	271.10772	169.2
[M+K]+	292.03706	161.5
[M+H-H2O]+	236.07116	145.0
[M+HCOO]-	298.07210	176.0
[M+CH3COO]-	312.08775	167.2
[M+Na-2H]-	274.04857	162.9
[M]+	253.07335	157.6
[M]-	253.07445	157.6

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.