CID 455084

Thiazoloisoindol-5-one deriv. 8

Structural Information

Molecular Formula

C₁₆H₁₂ClNOS

SMILES

C1CSC2(N1C(=O)C3=CC=CC=C32)C4=CC=C(C=C4)Cl

InChI

InChI=1S/C16H12ClNOS/c17-12-7-5-11(6-8-12)16-14-4-2-1-3-13(14)15(19)18(16)9-10-20-16/h1-8H,9-10H2

InChIKey

GFDQHCIMBGUQNS-UHFFFAOYSA-N

Compound name

9b-(4-chlorophenyl)-2,3-dihydro-[1,3]thiazolo[2,3-a]isoindol-5-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 3
Patents: 301.0328 Da
Monoisotopic Mass: 3.6
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]+	302.04008	168.9
[M+Na]+	324.02202	181.0
[M-H]-	300.02552	177.1
[M+NH4]+	319.06662	192.2
[M+K]+	339.99596	174.3
[M+H-H2O]+	284.03006	163.7
[M+HCOO]-	346.03100	181.0
[M+CH3COO]-	360.04665	181.8
[M+Na-2H]-	322.00747	170.0
[M]+	301.03225	172.9
[M]-	301.03335	172.9

Literature stripe

literature stripe

Patent stripe

patents stripe