CID 114827347

1593552-66-9

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
Annotation Hits

0
References

0
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 129.1
[M+Na]+ 252.94054 141.3
[M-H]- 228.94404 132.6
[M+NH4]+ 247.98514 149.5
[M+K]+ 268.91448 129.1
[M+H-H2O]+ 212.94858 129.9
[M+HCOO]- 274.94952 140.9
[M+CH3COO]- 288.96517 143.6
[M+Na-2H]- 250.92599 137.4
[M]+ 229.95077 145.4
[M]- 229.95187 145.4
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.