CID 455104

Thiazoloisoindol-5-one deriv. 30

Structural Information

Molecular Formula

C₁₆H₁₃NO₂S

SMILES

C1CS(=O)C2(N1C(=O)C3=CC=CC=C32)C4=CC=CC=C4

InChI

InChI=1S/C16H13NO2S/c18-15-13-8-4-5-9-14(13)16(12-6-2-1-3-7-12)17(15)10-11-20(16)19/h1-9H,10-11H2

InChIKey

SUSRXUJHVADUOT-UHFFFAOYSA-N

Compound name

1-oxo-9b-phenyl-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: 283.0667 Da
Monoisotopic Mass: 1.5
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]+	284.07398	163.9
[M+Na]+	306.05592	175.3
[M-H]-	282.05942	172.2
[M+NH4]+	301.10052	187.0
[M+K]+	322.02986	170.1
[M+H-H2O]+	266.06396	158.3
[M+HCOO]-	328.06490	180.9
[M+CH3COO]-	342.08055	177.1
[M+Na-2H]-	304.04137	165.8
[M]+	283.06615	166.6
[M]-	283.06725	166.6

Literature stripe

literature stripe

Patent stripe

patents stripe