CID 393167

Nsc 694621

Structural Information

Molecular Formula

C₁₃H₁₀N₂O₂S

SMILES

COC1=CC=C(C=C1)N2C(=O)C3=C(S2)N=CC=C3

InChI

InChI=1S/C13H10N2O2S/c1-17-10-6-4-9(5-7-10)15-13(16)11-3-2-8-14-12(11)18-15/h2-8H,1H3

InChIKey

AZVIMHSUSDTTCB-UHFFFAOYSA-N

Compound name

2-(4-methoxyphenyl)-[1,2]thiazolo[5,4-b]pyridin-3-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 2
References: 4
Patents: 258.0463 Da
Monoisotopic Mass: 2.2
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]+	259.05358	153.8
[M+Na]+	281.03552	166.9
[M-H]-	257.03902	160.6
[M+NH4]+	276.08012	172.1
[M+K]+	297.00946	162.0
[M+H-H2O]+	241.04356	146.5
[M+HCOO]-	303.04450	173.8
[M+CH3COO]-	317.06015	167.8
[M+Na-2H]-	279.02097	158.5
[M]+	258.04575	160.4
[M]-	258.04685	160.4

Literature stripe

literature stripe

Patent stripe

patents stripe