CID 7130836

7-(chloromethyl)-2-ethyl-5h-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one

Structural Information

Molecular Formula
C8H8ClN3OS
SMILES
CCC1=NN2C(=O)C=C(N=C2S1)CCl
InChI
InChI=1S/C8H8ClN3OS/c1-2-6-11-12-7(13)3-5(4-9)10-8(12)14-6/h3H,2,4H2,1H3
InChIKey
LSOANKRIPGZQFX-UHFFFAOYSA-N
Compound name
7-(chloromethyl)-2-ethyl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

21
Patents

229.00766 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 230.01494 143.3
[M+Na]+ 251.99688 157.8
[M-H]- 228.00038 145.4
[M+NH4]+ 247.04148 162.7
[M+K]+ 267.97082 152.6
[M+H-H2O]+ 212.00492 137.2
[M+HCOO]- 274.00586 157.0
[M+CH3COO]- 288.02151 157.4
[M+Na-2H]- 249.98233 147.3
[M]+ 229.00711 151.3
[M]- 229.00821 151.3
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