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

3
Patents

212.09833 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 213.10561 148.0
[M+Na]+ 235.08755 157.9
[M+NH4]+ 230.13215 156.6
[M+K]+ 251.06149 151.9
[M-H]- 211.09105 148.7
[M+Na-2H]- 233.07300 150.2
[M]+ 212.09778 149.8
[M]- 212.09888 149.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe