CID 2608761

105316-99-2

Structural Information

Molecular Formula

C₁₁H₉N₃OS

SMILES

C1C2=C(C=CC(=C2)C3=CSC(=N3)N)NC1=O

InChI

InChI=1S/C11H9N3OS/c12-11-14-9(5-16-11)6-1-2-8-7(3-6)4-10(15)13-8/h1-3,5H,4H2,(H2,12,14)(H,13,15)

InChIKey

YRPIIMJICPLJAO-UHFFFAOYSA-N

Compound name

5-(2-amino-1,3-thiazol-4-yl)-1,3-dihydroindol-2-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 2
References: 15
Patents: 231.04663 Da
Monoisotopic Mass: 1.1
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]+	232.05391	148.3
[M+Na]+	254.03585	159.1
[M-H]-	230.03935	153.1
[M+NH4]+	249.08045	168.2
[M+K]+	270.00979	153.9
[M+H-H2O]+	214.04389	142.3
[M+HCOO]-	276.04483	165.7
[M+CH3COO]-	290.06048	161.2
[M+Na-2H]-	252.02130	148.9
[M]+	231.04608	147.8
[M]-	231.04718	147.8

Literature stripe

literature stripe

Patent stripe

patents stripe