CID 25787

Brn 0651603

Structural Information

Molecular Formula

C₁₄H₁₁NO₂

SMILES

C1C2=CC=CC=C2N(C(=O)O1)C3=CC=CC=C3

InChI

InChI=1S/C14H11NO2/c16-14-15(12-7-2-1-3-8-12)13-9-5-4-6-11(13)10-17-14/h1-9H,10H2

InChIKey

JOZFJYSDJQXFRK-UHFFFAOYSA-N

Compound name

1-phenyl-4H-3,1-benzoxazin-2-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 225.07898 Da
Monoisotopic Mass: 2.8
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]+	226.08626	148.2
[M+Na]+	248.06820	164.4
[M+NH4]+	243.11280	157.8
[M+K]+	264.04214	156.4
[M-H]-	224.07170	154.6
[M+Na-2H]-	246.05365	157.3
[M]+	225.07843	152.5
[M]-	225.07953	152.5

Literature stripe

literature stripe

Patent stripe

patents stripe