CID 108142367

2-chloro-5h,6h,7h-pyrimido[4,5-b][1,4]thiazin-6-one

Structural Information

Molecular Formula
C6H4ClN3OS
SMILES
C1C(=O)NC2=CN=C(N=C2S1)Cl
InChI
InChI=1S/C6H4ClN3OS/c7-6-8-1-3-5(10-6)12-2-4(11)9-3/h1H,2H2,(H,9,11)
InChIKey
DALVYSNAVDNQEV-UHFFFAOYSA-N
Compound name
2-chloro-5H-pyrimido[4,5-b][1,4]thiazin-6-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

200.97636 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 201.983636 134.7
[M+Na]+ 223.965578 145.5
[M-H]- 199.969084 134.1
[M+NH4]+ 219.010183 151.9
[M+K]+ 239.939518 140.2
[M+H-H2O]+ 183.973620 128.7
[M+HCOO]- 245.974561 142.5
[M+CH3COO]- 259.990211 146.7
[M+Na-2H]- 221.951026 140.3
[M]+ 200.97581142 134.7
[M]- 200.97690858 134.7
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.