CID 114827347

7-bromo-2,3-dihydro-1h-pyrido[2,3-b][1,4]thiazine

Structural Information

Molecular Formula
C7H7BrN2S
SMILES
C1CSC2=C(N1)C=C(C=N2)Br
InChI
InChI=1S/C7H7BrN2S/c8-5-3-6-7(10-4-5)11-2-1-9-6/h3-4,9H,1-2H2
InChIKey
VNAPXIGWTYUSTL-UHFFFAOYSA-N
Compound name
7-bromo-2,3-dihydro-1H-pyrido[2,3-b][1,4]thiazine
Related CIDs

2D Structure

compound 2d structure
1
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References

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Patents

229.95132 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 230.95860 127.8
[M+Na]+ 252.94054 131.7
[M+NH4]+ 247.98514 134.0
[M+K]+ 268.91448 129.9
[M-H]- 228.94404 128.6
[M+Na-2H]- 250.92599 131.8
[M]+ 229.95077 127.8
[M]- 229.95187 127.8
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.

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No patent data available for this compound.