CID 455119

Thiazoloisoindol-5-one deriv. 47

Structural Information

Molecular Formula

C₁₇H₁₅NOS

SMILES

CC1=C2C(=CC=C1)C3(N(C2=O)CCS3)C4=CC=CC=C4

InChI

InChI=1S/C17H15NOS/c1-12-6-5-9-14-15(12)16(19)18-10-11-20-17(14,18)13-7-3-2-4-8-13/h2-9H,10-11H2,1H3

InChIKey

VBYFEJWUTSGMIU-UHFFFAOYSA-N

Compound name

6-methyl-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: 281.08743 Da
Monoisotopic Mass: 3.4
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	165.0
[M+Na]+	304.07665	175.9
[M-H]-	280.08015	173.1
[M+NH4]+	299.12125	188.3
[M+K]+	320.05059	170.5
[M+H-H2O]+	264.08469	159.2
[M+HCOO]-	326.08563	181.3
[M+CH3COO]-	340.10128	177.9
[M+Na-2H]-	302.06210	166.2
[M]+	281.08688	167.3
[M]-	281.08798	167.3

Literature stripe

literature stripe

Patent stripe

patents stripe