CID 6424827

(s)-spirobrassinin

Structural Information

Molecular Formula

C₁₁H₁₀N₂OS₂

SMILES

CSC1=NCC2(S1)C3=CC=CC=C3NC2=O

InChI

InChI=1S/C11H10N2OS2/c1-15-10-12-6-11(16-10)7-4-2-3-5-8(7)13-9(11)14/h2-5H,6H2,1H3,(H,13,14)

InChIKey

FUHQSEOSBHASCH-UHFFFAOYSA-N

Compound name

2'-methylsulfanylspiro[1H-indole-3,5'-4H-1,3-thiazole]-2-one

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 28
Patents: 250.02345 Da
Monoisotopic Mass: 1.8
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]+	251.03073	152.1
[M+Na]+	273.01267	163.0
[M+NH4]+	268.05727	162.9
[M+K]+	288.98661	154.3
[M-H]-	249.01617	154.1
[M+Na-2H]-	270.99812	157.1
[M]+	250.02290	155.2
[M]-	250.02400	155.2

Literature stripe

literature stripe

Patent stripe

patents stripe