CID 2816786

Chembl2087789

Structural Information

Molecular Formula

C₁₃H₁₀N₂O₂S₂

SMILES

CC1=CC(=NC2=C1C(=O)N(S2)C(=O)C3=CC=CS3)C

InChI

InChI=1S/C13H10N2O2S2/c1-7-6-8(2)14-11-10(7)13(17)15(19-11)12(16)9-4-3-5-18-9/h3-6H,1-2H3

InChIKey

SRHVPBZHRXZPOR-UHFFFAOYSA-N

Compound name

4,6-dimethyl-2-(thiophene-2-carbonyl)-[1,2]thiazolo[5,4-b]pyridin-3-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 5
References: 0
Patents: 290.01837 Da
Monoisotopic Mass: 2.9
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]+	291.025646	163.0
[M+Na]+	313.007588	177.4
[M-H]-	289.011094	170.6
[M+NH4]+	308.052193	182.7
[M+K]+	328.981528	172.3
[M+H-H2O]+	273.015630	158.2
[M+HCOO]-	335.016571	177.7
[M+CH3COO]-	349.032221	176.8
[M+Na-2H]-	310.993036	161.5
[M]+	290.01782142	171.1
[M]-	290.01891858	171.1

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.