CID 477141

6-chloro-4-ethyl-4-phenyl-1h-3,1-benzoxazin-2-one

Structural Information

Molecular Formula

C₁₆H₁₄ClNO₂

SMILES

CCC1(C2=C(C=CC(=C2)Cl)NC(=O)O1)C3=CC=CC=C3

InChI

InChI=1S/C16H14ClNO2/c1-2-16(11-6-4-3-5-7-11)13-10-12(17)8-9-14(13)18-15(19)20-16/h3-10H,2H2,1H3,(H,18,19)

InChIKey

DQRKILQTKKUKCX-UHFFFAOYSA-N

Compound name

6-chloro-4-ethyl-4-phenyl-1H-3,1-benzoxazin-2-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 287.07132 Da
Monoisotopic Mass: 4.1
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]+	288.078596	163.7
[M+Na]+	310.060538	173.4
[M-H]-	286.064044	169.3
[M+NH4]+	305.105143	180.0
[M+K]+	326.034478	167.9
[M+H-H2O]+	270.068580	156.2
[M+HCOO]-	332.069521	176.6
[M+CH3COO]-	346.085171	175.2
[M+Na-2H]-	308.045986	170.4
[M]+	287.07077142	164.5
[M]-	287.07186858	164.5

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.