CID 3043139

3-(2-thiazolidinyl)-1h-indole

Structural Information

Molecular Formula

C₁₁H₁₂N₂S

SMILES

C1CSC(N1)C2=CNC3=CC=CC=C32

InChI

InChI=1S/C11H12N2S/c1-2-4-10-8(3-1)9(7-13-10)11-12-5-6-14-11/h1-4,7,11-13H,5-6H2

InChIKey

BNKKCGMLJYAMBT-UHFFFAOYSA-N

Compound name

2-(1H-indol-3-yl)-1,3-thiazolidine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 204.07211 Da
Monoisotopic Mass: 2.0
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]+	205.07939	141.9
[M+Na]+	227.06133	153.9
[M+NH4]+	222.10593	151.7
[M+K]+	243.03527	148.4
[M-H]-	203.06483	144.8
[M+Na-2H]-	225.04678	148.0
[M]+	204.07156	144.8
[M]-	204.07266	144.8

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.