CID 6448118

5h-thiazolo(3,2-a)pyrimidin-5-one, 2,3,6,7-tetrahydro-7-(1-propenyl)-

Structural Information

Molecular Formula

C₉H₁₂N₂OS

SMILES

C/C=C/C1CC(=O)N2CCSC2=N1

InChI

InChI=1S/C9H12N2OS/c1-2-3-7-6-8(12)11-4-5-13-9(11)10-7/h2-3,7H,4-6H2,1H3/b3-2+

InChIKey

YKUVUCCDVRYASK-NSCUHMNNSA-N

Compound name

7-[(E)-prop-1-enyl]-2,3,6,7-tetrahydro-[1,3]thiazolo[3,2-a]pyrimidin-5-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 2
Patents: 196.06703 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]+	197.074306	142.1
[M+Na]+	219.056248	150.9
[M-H]-	195.059754	143.8
[M+NH4]+	214.100853	162.7
[M+K]+	235.030188	147.6
[M+H-H2O]+	179.064290	136.0
[M+HCOO]-	241.065231	156.0
[M+CH3COO]-	255.080881	180.9
[M+Na-2H]-	217.041696	143.2
[M]+	196.06648142	141.6
[M]-	196.06757858	141.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe