CID 477130

6-chloro-4-phenethyl-1,4-dihydro-3,1-benzoxazin-2-one

Structural Information

Molecular Formula

C₁₆H₁₄ClNO₂

SMILES

C1=CC=C(C=C1)CCC2C3=C(C=CC(=C3)Cl)NC(=O)O2

InChI

InChI=1S/C16H14ClNO2/c17-12-7-8-14-13(10-12)15(20-16(19)18-14)9-6-11-4-2-1-3-5-11/h1-5,7-8,10,15H,6,9H2,(H,18,19)

InChIKey

OYVBDKDYJNQTLE-UHFFFAOYSA-N

Compound name

6-chloro-4-(2-phenylethyl)-1,4-dihydro-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	164.0
[M+Na]+	310.060538	172.6
[M-H]-	286.064044	169.1
[M+NH4]+	305.105143	178.1
[M+K]+	326.034478	166.8
[M+H-H2O]+	270.068580	156.2
[M+HCOO]-	332.069521	176.8
[M+CH3COO]-	346.085171	175.0
[M+Na-2H]-	308.045986	169.6
[M]+	287.07077142	164.4
[M]-	287.07186858	164.4

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.