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]+ 200.04883 137.4
[M+Na]+ 222.03077 146.9
[M-H]- 198.03427 137.9
[M+NH4]+ 217.07537 154.8
[M+K]+ 238.00471 142.9
[M+H-H2O]+ 182.03881 131.1
[M+HCOO]- 244.03975 151.3
[M+CH3COO]- 258.05540 149.5
[M+Na-2H]- 220.01622 142.0
[M]+ 199.04100 135.8
[M]- 199.04210 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.