CID 135667584

Thiazolo[4,5-d]pyrimidin-7(6h)-one

Structural Information

Molecular Formula
C5H3N3OS
SMILES
C1=NC2=C(C(=O)N1)SC=N2
InChI
InChI=1S/C5H3N3OS/c9-5-3-4(6-1-7-5)8-2-10-3/h1-2H,(H,6,7,9)
InChIKey
ILAXZPDKSKVBRP-UHFFFAOYSA-N
Compound name
6H-[1,3]thiazolo[4,5-d]pyrimidin-7-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

204
Patents

152.99968 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 154.00696 124.0
[M+Na]+ 175.98890 137.3
[M-H]- 151.99240 124.8
[M+NH4]+ 171.03350 144.4
[M+K]+ 191.96284 133.4
[M+H-H2O]+ 135.99694 118.0
[M+HCOO]- 197.99788 142.1
[M+CH3COO]- 212.01353 138.6
[M+Na-2H]- 173.97435 131.1
[M]+ 152.99913 126.8
[M]- 153.00023 126.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe