CID 817872

6-(2-chloroethyl)-7-methyl-5h-[1,3]thiazolo[3,2-a]pyrimidin-5-one

Structural Information

Molecular Formula
C9H9ClN2OS
SMILES
CC1=C(C(=O)N2C=CSC2=N1)CCCl
InChI
InChI=1S/C9H9ClN2OS/c1-6-7(2-3-10)8(13)12-4-5-14-9(12)11-6/h4-5H,2-3H2,1H3
InChIKey
SVZSNASRUSJMAF-UHFFFAOYSA-N
Compound name
6-(2-chloroethyl)-7-methyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

131
Patents

228.0124 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 229.01968 143.6
[M+Na]+ 251.00162 157.7
[M-H]- 227.00512 147.1
[M+NH4]+ 246.04622 164.5
[M+K]+ 266.97556 152.3
[M+H-H2O]+ 211.00966 138.2
[M+HCOO]- 273.01060 158.3
[M+CH3COO]- 287.02625 158.0
[M+Na-2H]- 248.98707 147.3
[M]+ 228.01185 151.6
[M]- 228.01295 151.6
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