CID 45791851

2-bromo-7-propyl-5h-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one

Structural Information

Molecular Formula
C8H8BrN3OS
SMILES
CCCC1=CC(=O)N2C(=N1)SC(=N2)Br
InChI
InChI=1S/C8H8BrN3OS/c1-2-3-5-4-6(13)12-8(10-5)14-7(9)11-12/h4H,2-3H2,1H3
InChIKey
MVBFZOPCIOGIRF-UHFFFAOYSA-N
Compound name
2-bromo-7-propyl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

12
Patents

272.95715 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 273.96443 143.4
[M+Na]+ 295.94637 148.1
[M+NH4]+ 290.99097 148.0
[M+K]+ 311.92031 147.8
[M-H]- 271.94987 142.9
[M+Na-2H]- 293.93182 146.2
[M]+ 272.95660 143.1
[M]- 272.95770 143.1
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