CID 455081

Thiazoloisoindol-5-one deriv. 5

Structural Information

Molecular Formula

C₁₄H₁₂N₂OS

SMILES

C1CSC2(N1C(=O)C3=CC=CC=C32)C4=CC=CN4

InChI

InChI=1S/C14H12N2OS/c17-13-10-4-1-2-5-11(10)14(12-6-3-7-15-12)16(13)8-9-18-14/h1-7,15H,8-9H2

InChIKey

TZBCIGPFOXIPMV-UHFFFAOYSA-N

Compound name

9b-(1H-pyrrol-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: 0
Patents: 256.06705 Da
Monoisotopic Mass: 1.8
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]+	257.074326	158.0
[M+Na]+	279.056268	169.1
[M-H]-	255.059774	164.2
[M+NH4]+	274.100873	182.0
[M+K]+	295.030208	164.4
[M+H-H2O]+	239.064310	153.1
[M+HCOO]-	301.065251	173.8
[M+CH3COO]-	315.080901	170.9
[M+Na-2H]-	277.041716	158.1
[M]+	256.06650142	159.1
[M]-	256.06759858	159.1

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.