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 130.6
[M+Na]+ 266.91982 134.3
[M+NH4]+ 261.96442 136.0
[M+K]+ 282.89376 133.1
[M-H]- 242.92332 130.7
[M+Na-2H]- 264.90527 133.8
[M]+ 243.93005 130.3
[M]- 243.93115 130.3
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.