CID 3067463

7-isobutyl-5-oxo-2,3,6,7-tetrahydro-5h-thiazolo(3,2-a)pyrimidine

Structural Information

Molecular Formula

C₁₀H₁₆N₂OS

SMILES

CC(C)CC1CC(=O)N2CCSC2=N1

InChI

InChI=1S/C10H16N2OS/c1-7(2)5-8-6-9(13)12-3-4-14-10(12)11-8/h7-8H,3-6H2,1-2H3

InChIKey

FROAQNNIQUPRQS-UHFFFAOYSA-N

Compound name

7-(2-methylpropyl)-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: 4
Patents: 212.09833 Da
Monoisotopic Mass: 1.6
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]+	213.105606	147.4
[M+Na]+	235.087548	155.0
[M-H]-	211.091054	148.9
[M+NH4]+	230.132153	167.2
[M+K]+	251.061488	152.5
[M+H-H2O]+	195.095590	141.1
[M+HCOO]-	257.096531	159.7
[M+CH3COO]-	271.112181	186.2
[M+Na-2H]-	233.072996	146.9
[M]+	212.09778142	147.4
[M]-	212.09887858	147.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe