CID 146050234

5-amino-7h-[1,3]thiazolo[3,2-a]pyrimidin-7-one

Structural Information

Molecular Formula
C6H5N3OS
SMILES
C1=CSC2=NC(=O)C=C(N21)N
InChI
InChI=1S/C6H5N3OS/c7-4-3-5(10)8-6-9(4)1-2-11-6/h1-3H,7H2
InChIKey
OQEGNWWCQNGYQA-UHFFFAOYSA-N
Compound name
5-amino-[1,3]thiazolo[3,2-a]pyrimidin-7-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

167.01534 Da
Monoisotopic Mass

-0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 168.022616 127.7
[M+Na]+ 190.004558 140.8
[M-H]- 166.008064 130.9
[M+NH4]+ 185.049163 149.3
[M+K]+ 205.978498 137.1
[M+H-H2O]+ 150.012600 121.8
[M+HCOO]- 212.013541 148.5
[M+CH3COO]- 226.029191 142.8
[M+Na-2H]- 187.990006 133.8
[M]+ 167.01479142 130.9
[M]- 167.01588858 130.9
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.