CID 485500

6-chloro-4-thioxo-3-p-tolyl-3,4-dihydro-benzo[e][1,3]oxazin-2-one

Structural Information

Molecular Formula

C₁₅H₁₀ClNO₂S

SMILES

CC1=CC=C(C=C1)N2C(=S)C3=C(C=CC(=C3)Cl)OC2=O

InChI

InChI=1S/C15H10ClNO2S/c1-9-2-5-11(6-3-9)17-14(20)12-8-10(16)4-7-13(12)19-15(17)18/h2-8H,1H3

InChIKey

ZGLYVEFLTRUWLM-UHFFFAOYSA-N

Compound name

6-chloro-3-(4-methylphenyl)-4-sulfanylidene-1,3-benzoxazin-2-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 0
Patents: 303.0121 Da
Monoisotopic Mass: 4.4
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]+	304.019376	162.8
[M+Na]+	326.001318	176.5
[M-H]-	302.004824	171.2
[M+NH4]+	321.045923	178.5
[M+K]+	341.975258	170.5
[M+H-H2O]+	286.009360	156.0
[M+HCOO]-	348.010301	175.6
[M+CH3COO]-	362.025951	176.2
[M+Na-2H]-	323.986766	167.3
[M]+	303.01155142	169.8
[M]-	303.01264858	169.8

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.