CID 455082

Chembl87303

Structural Information

Molecular Formula

C₂₀H₁₅NOS

SMILES

C1CSC2(N1C(=O)C3=CC=CC=C32)C4=CC=CC5=CC=CC=C54

InChI

InChI=1S/C20H15NOS/c22-19-16-9-3-4-10-18(16)20(21(19)12-13-23-20)17-11-5-7-14-6-1-2-8-15(14)17/h1-11H,12-13H2

InChIKey

SPRYWRQUZPBNHD-UHFFFAOYSA-N

Compound name

9b-naphthalen-1-yl-2,3-dihydro-[1,3]thiazolo[2,3-a]isoindol-5-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 2
References: 4
Patents: 317.08743 Da
Monoisotopic Mass: 4.2
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]+	318.09471	174.0
[M+Na]+	340.07665	185.0
[M-H]-	316.08015	182.8
[M+NH4]+	335.12125	196.5
[M+K]+	356.05059	178.3
[M+H-H2O]+	300.08469	167.3
[M+HCOO]-	362.08563	189.1
[M+CH3COO]-	376.10128	186.1
[M+Na-2H]-	338.06210	176.2
[M]+	317.08688	176.1
[M]-	317.08798	176.1

Literature stripe

literature stripe

Patent stripe

patents stripe