CID 10515775

Sinalbin b

Structural Information

Molecular Formula

C₁₂H₁₂N₂OS₂

SMILES

CON1C2=CC=CC=C2C3=C1SC(=NC3)SC

InChI

InChI=1S/C12H12N2OS2/c1-15-14-10-6-4-3-5-8(10)9-7-13-12(16-2)17-11(9)14/h3-6H,7H2,1-2H3

InChIKey

JCYHQSOLTRRNNC-UHFFFAOYSA-N

Compound name

9-methoxy-2-methylsulfanyl-4H-[1,3]thiazino[6,5-b]indole

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 1
References: 0
Patents: 264.0391 Da
Monoisotopic Mass: 3.6
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]+	265.046376	152.4
[M+Na]+	287.028318	165.2
[M-H]-	263.031824	156.1
[M+NH4]+	282.072923	172.3
[M+K]+	303.002258	160.0
[M+H-H2O]+	247.036360	147.1
[M+HCOO]-	309.037301	164.1
[M+CH3COO]-	323.052951	165.5
[M+Na-2H]-	285.013766	155.9
[M]+	264.03855142	159.2
[M]-	264.03964858	159.2

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.