CID 455109

Thiazoloisoindol-5-one deriv. 35

Structural Information

Molecular Formula

C₁₇H₁₅NOS

SMILES

C1CN2C(=O)C3=CC=CC=C3C2(SC1)C4=CC=CC=C4

InChI

InChI=1S/C17H15NOS/c19-16-14-9-4-5-10-15(14)17(13-7-2-1-3-8-13)18(16)11-6-12-20-17/h1-5,7-10H,6,11-12H2

InChIKey

AMOCSKAPIOCNAB-UHFFFAOYSA-N

Compound name

10b-phenyl-3,4-dihydro-2H-[1,3]thiazino[2,3-a]isoindol-6-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 2
Patents: 281.08743 Da
Monoisotopic Mass: 3.3
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]+	282.09471	163.2
[M+Na]+	304.07665	172.1
[M-H]-	280.08015	170.1
[M+NH4]+	299.12125	184.0
[M+K]+	320.05059	166.4
[M+H-H2O]+	264.08469	155.9
[M+HCOO]-	326.08563	177.2
[M+CH3COO]-	340.10128	174.9
[M+Na-2H]-	302.06210	167.0
[M]+	281.08688	162.5
[M]-	281.08798	162.5

Literature stripe

literature stripe

Patent stripe

patents stripe