CID 11275932

1-methyl-3-(2-thiazolyl)-1h-indole

Structural Information

Molecular Formula

C₁₂H₁₀N₂S

SMILES

CN1C=C(C2=CC=CC=C21)C3=NC=CS3

InChI

InChI=1S/C12H10N2S/c1-14-8-10(12-13-6-7-15-12)9-4-2-3-5-11(9)14/h2-8H,1H3

InChIKey

UZRNJZSSOYHALG-UHFFFAOYSA-N

Compound name

2-(1-methylindol-3-yl)-1,3-thiazole

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 3
Patents: 214.05647 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]+	215.06375	144.1
[M+Na]+	237.04569	159.2
[M+NH4]+	232.09029	154.5
[M+K]+	253.01963	152.6
[M-H]-	213.04919	148.5
[M+Na-2H]-	235.03114	152.6
[M]+	214.05592	148.1
[M]-	214.05702	148.1

Literature stripe

literature stripe

Patent stripe

patents stripe