CID 12436915

32278-40-3

Structural Information

Molecular Formula

C₁₂H₈N₂OS

SMILES

C1=CC=C(C=C1)C2=CC(=O)N=C3N2C=CS3

InChI

InChI=1S/C12H8N2OS/c15-11-8-10(9-4-2-1-3-5-9)14-6-7-16-12(14)13-11/h1-8H

InChIKey

LYXHCASEFWDPLG-UHFFFAOYSA-N

Compound name

5-phenyl-[1,3]thiazolo[3,2-a]pyrimidin-7-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 228.03574 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]+	229.04302	145.6
[M+Na]+	251.02496	158.6
[M-H]-	227.02846	152.3
[M+NH4]+	246.06956	165.0
[M+K]+	266.99890	153.3
[M+H-H2O]+	211.03300	138.5
[M+HCOO]-	273.03394	165.8
[M+CH3COO]-	287.04959	160.0
[M+Na-2H]-	249.01041	151.5
[M]+	228.03519	150.1
[M]-	228.03629	150.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe