CID 4354134

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

Structural Information

Molecular Formula
C8H7ClN2OS
SMILES
CC1=CSC2=NC(=CC(=O)N12)CCl
InChI
InChI=1S/C8H7ClN2OS/c1-5-4-13-8-10-6(3-9)2-7(12)11(5)8/h2,4H,3H2,1H3
InChIKey
CTOHNLKENNHCNA-UHFFFAOYSA-N
Compound name
7-(chloromethyl)-3-methyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

30
Patents

213.99677 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 215.00405 139.0
[M+Na]+ 236.98599 153.5
[M-H]- 212.98949 142.7
[M+NH4]+ 232.03059 160.5
[M+K]+ 252.95993 148.5
[M+H-H2O]+ 196.99403 133.9
[M+HCOO]- 258.99497 154.1
[M+CH3COO]- 273.01062 153.9
[M+Na-2H]- 234.97144 143.2
[M]+ 213.99622 146.7
[M]- 213.99732 146.7
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