CID 85760249

Chebi:173569

Structural Information

Molecular Formula

C₁₀H₈N₂OS

SMILES

CON1C2=CC=CC=C2C3=C1SN=C3

InChI

InChI=1S/C10H8N2OS/c1-13-12-9-5-3-2-4-7(9)8-6-11-14-10(8)12/h2-6H,1H3

InChIKey

MCKJZUFMGOTAKT-UHFFFAOYSA-N

Compound name

4-methoxy-[1,2]thiazolo[5,4-b]indole

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 43
Patents: 204.03574 Da
Monoisotopic Mass: 3.1
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]+	205.04302	139.4
[M+Na]+	227.02496	154.2
[M-H]-	203.02846	144.7
[M+NH4]+	222.06956	163.3
[M+K]+	242.99890	150.7
[M+H-H2O]+	187.03300	134.3
[M+HCOO]-	249.03394	160.9
[M+CH3COO]-	263.04959	155.2
[M+Na-2H]-	225.01041	145.1
[M]+	204.03519	148.0
[M]-	204.03629	148.0

Literature stripe

literature stripe

Patent stripe

patents stripe