CID 455080

Bdbm1359

Structural Information

Molecular Formula

C₁₄H₁₁NO₂S

SMILES

C1CSC2(N1C(=O)C3=CC=CC=C32)C4=CC=CO4

InChI

InChI=1S/C14H11NO2S/c16-13-10-4-1-2-5-11(10)14(12-6-3-8-17-12)15(13)7-9-18-14/h1-6,8H,7,9H2

InChIKey

DTMBEFZFARMRPN-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 2
Patents: 257.05106 Da
Monoisotopic Mass: 2.1
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]+	258.05834	156.2
[M+Na]+	280.04028	167.7
[M-H]-	256.04378	165.6
[M+NH4]+	275.08488	180.8
[M+K]+	296.01422	165.3
[M+H-H2O]+	240.04832	152.6
[M+HCOO]-	302.04926	174.0
[M+CH3COO]-	316.06491	170.4
[M+Na-2H]-	278.02573	157.6
[M]+	257.05051	160.3
[M]-	257.05161	160.3

Literature stripe

literature stripe

Patent stripe

patents stripe