CID 769214

Brn 4691928

Structural Information

Molecular Formula

C₁₃H₁₃N₃OS

SMILES

CC(C)(C1=CC(=N)SC2=NC3=CC=CC=C3N12)O

InChI

InChI=1S/C13H13N3OS/c1-13(2,17)10-7-11(14)18-12-15-8-5-3-4-6-9(8)16(10)12/h3-7,14,17H,1-2H3

InChIKey

BYSLFSOXWFOBAZ-UHFFFAOYSA-N

Compound name

2-(2-imino-[1,3]thiazino[3,2-a]benzimidazol-4-yl)propan-2-ol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 2
References: 0
Patents: 259.07794 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]+	260.085216	156.8
[M+Na]+	282.067158	168.9
[M-H]-	258.070664	159.8
[M+NH4]+	277.111763	175.4
[M+K]+	298.041098	163.1
[M+H-H2O]+	242.075200	151.0
[M+HCOO]-	304.076141	172.8
[M+CH3COO]-	318.091791	169.4
[M+Na-2H]-	280.052606	163.6
[M]+	259.07739142	160.6
[M]-	259.07848858	160.6

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.