CID 71764124

438622-20-9

Structural Information

Molecular Formula
C7H5BrN2OS
SMILES
C1C(=O)NC2=C(S1)N=CC(=C2)Br
InChI
InChI=1S/C7H5BrN2OS/c8-4-1-5-7(9-2-4)12-3-6(11)10-5/h1-2H,3H2,(H,10,11)
InChIKey
DCCDHDKETKOVBR-UHFFFAOYSA-N
Compound name
7-bromo-1H-pyrido[2,3-b][1,4]thiazin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

243.9306 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 244.93788 131.2
[M+Na]+ 266.91982 144.2
[M-H]- 242.92332 134.9
[M+NH4]+ 261.96442 151.1
[M+K]+ 282.89376 131.8
[M+H-H2O]+ 226.92786 132.0
[M+HCOO]- 288.92880 143.2
[M+CH3COO]- 302.94445 145.8
[M+Na-2H]- 264.90527 138.9
[M]+ 243.93005 148.5
[M]- 243.93115 148.5
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.