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

Adduct m/z Predicted CCS (Ų)
[M+H]+ 213.10561 147.4
[M+Na]+ 235.08755 155.0
[M-H]- 211.09105 148.9
[M+NH4]+ 230.13215 167.2
[M+K]+ 251.06149 152.5
[M+H-H2O]+ 195.09559 141.1
[M+HCOO]- 257.09653 159.7
[M+CH3COO]- 271.11218 186.2
[M+Na-2H]- 233.07300 146.9
[M]+ 212.09778 147.4
[M]- 212.09888 147.4
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