CID 47002144

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

Structural Information

Molecular Formula
C5H2BrN3OS
SMILES
C1=CN=C2N(C1=O)N=C(S2)Br
InChI
InChI=1S/C5H2BrN3OS/c6-4-8-9-3(10)1-2-7-5(9)11-4/h1-2H
InChIKey
DXQBDFKUPBTBCB-UHFFFAOYSA-N
Compound name
2-bromo-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

230.9102 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 231.91748 124.5
[M+Na]+ 253.89942 142.3
[M-H]- 229.90292 130.1
[M+NH4]+ 248.94402 146.8
[M+K]+ 269.87336 131.1
[M+H-H2O]+ 213.90746 125.5
[M+HCOO]- 275.90840 142.5
[M+CH3COO]- 289.92405 142.0
[M+Na-2H]- 251.88487 133.6
[M]+ 230.90965 148.2
[M]- 230.91075 148.2
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

No patent data available for this compound.