CID 455079

Thiazoloisoindol-5-one deriv. 3

Structural Information

Molecular Formula

C₁₄H₁₁NOS₂

SMILES

C1CSC2(N1C(=O)C3=CC=CC=C32)C4=CC=CS4

InChI

InChI=1S/C14H11NOS2/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

WDPFQWZGPHGUDP-UHFFFAOYSA-N

Compound name

9b-thiophen-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: 3
Patents: 273.0282 Da
Monoisotopic Mass: 2.7
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]+	274.03548	161.7
[M+Na]+	296.01742	174.2
[M-H]-	272.02092	170.3
[M+NH4]+	291.06202	187.6
[M+K]+	311.99136	170.0
[M+H-H2O]+	256.02546	158.8
[M+HCOO]-	318.02640	175.3
[M+CH3COO]-	332.04205	175.4
[M+Na-2H]-	294.00287	161.3
[M]+	273.02765	165.9
[M]-	273.02875	165.9

Literature stripe

literature stripe

Patent stripe

patents stripe