CID 3600292

136353-11-2

Structural Information

Molecular Formula
C7H9N3O2S
SMILES
C1C(CSC2=NC(=CC(=O)N21)N)O
InChI
InChI=1S/C7H9N3O2S/c8-5-1-6(12)10-2-4(11)3-13-7(10)9-5/h1,4,11H,2-3,8H2
InChIKey
MCGLJURHMHWZBV-UHFFFAOYSA-N
Compound name
8-amino-3-hydroxy-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazin-6-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

199.04155 Da
Monoisotopic Mass

-0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 200.048826 137.4
[M+Na]+ 222.030768 146.9
[M-H]- 198.034274 137.9
[M+NH4]+ 217.075373 154.8
[M+K]+ 238.004708 142.9
[M+H-H2O]+ 182.038810 131.1
[M+HCOO]- 244.039751 151.3
[M+CH3COO]- 258.055401 149.5
[M+Na-2H]- 220.016216 142.0
[M]+ 199.04100142 135.8
[M]- 199.04209858 135.8
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

No patent data available for this compound.