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]+ 201.98364 134.7
[M+Na]+ 223.96558 145.5
[M-H]- 199.96908 134.1
[M+NH4]+ 219.01018 151.9
[M+K]+ 239.93952 140.2
[M+H-H2O]+ 183.97362 128.7
[M+HCOO]- 245.97456 142.5
[M+CH3COO]- 259.99021 146.7
[M+Na-2H]- 221.95103 140.3
[M]+ 200.97581 134.7
[M]- 200.97691 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.