CID 65152

5218-08-6

Structural Information

Molecular Formula

C₁₆H₁₃NOS

SMILES

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

InChI

InChI=1S/C16H13NOS/c18-15-13-8-4-5-9-14(13)16(17(15)10-11-19-16)12-6-2-1-3-7-12/h1-9H,10-11H2

InChIKey

CTGFADZNCCTVMP-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 4
References: 11
Patents: 267.07178 Da
Monoisotopic Mass: 3.0
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]+	268.07906	160.7
[M+Na]+	290.06100	171.3
[M-H]-	266.06450	168.8
[M+NH4]+	285.10560	184.3
[M+K]+	306.03494	166.1
[M+H-H2O]+	250.06904	154.9
[M+HCOO]-	312.06998	177.5
[M+CH3COO]-	326.08563	173.8
[M+Na-2H]-	288.04645	163.0
[M]+	267.07123	162.3
[M]-	267.07233	162.3

Literature stripe

literature stripe

Patent stripe

patents stripe