CID 455086

Thiazoloisoindol-5-one deriv. 10

Structural Information

Molecular Formula

C₁₉H₁₉NOS

SMILES

CC(C)C1=CC=C(C=C1)C23C4=CC=CC=C4C(=O)N2CCS3

InChI

InChI=1S/C19H19NOS/c1-13(2)14-7-9-15(10-8-14)19-17-6-4-3-5-16(17)18(21)20(19)11-12-22-19/h3-10,13H,11-12H2,1-2H3

InChIKey

GLLJAXZJBYUJIC-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 0
Patents: 309.11874 Da
Monoisotopic Mass: 4.1
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]+	310.126016	174.2
[M+Na]+	332.107958	183.8
[M-H]-	308.111464	182.0
[M+NH4]+	327.152563	196.3
[M+K]+	348.081898	178.4
[M+H-H2O]+	292.116000	168.3
[M+HCOO]-	354.116941	188.8
[M+CH3COO]-	368.132591	186.1
[M+Na-2H]-	330.093406	173.4
[M]+	309.11819142	176.6
[M]-	309.11928858	176.6

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.