CID 3600292

136353-11-2

Structural Information

Molecular Formula

C₇H₉N₃O₂S

SMILES

C1C(CSC2=NC(=CC(=O)N21)N)O

InChI

InChI=1S/C7H9N3O2S/c8-5-1-6(12)10-2-4(11)3-13-7(10)9-5/h1,4,11H,2-3,8H2

InChIKey

MCGLJURHMHWZBV-UHFFFAOYSA-N

Compound name

8-amino-3-hydroxy-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazin-6-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 2
References: 0
Patents: 199.04155 Da
Monoisotopic Mass: -0.9
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]+	200.04883	138.0
[M+Na]+	222.03077	149.6
[M+NH4]+	217.07537	146.0
[M+K]+	238.00471	142.7
[M-H]-	198.03427	139.2
[M+Na-2H]-	220.01622	142.3
[M]+	199.04100	140.2
[M]-	199.04210	140.2

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.