CID 11344210

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

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

167.01534 Da
Monoisotopic Mass

-0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 168.02262 127.7
[M+Na]+ 190.00456 140.8
[M-H]- 166.00806 130.9
[M+NH4]+ 185.04916 149.3
[M+K]+ 205.97850 137.1
[M+H-H2O]+ 150.01260 121.8
[M+HCOO]- 212.01354 148.5
[M+CH3COO]- 226.02919 142.8
[M+Na-2H]- 187.99001 133.8
[M]+ 167.01479 130.9
[M]- 167.01589 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

patents stripe