CID 3073998

154371-19-4

Structural Information

Molecular Formula
C16H9BrN4OS
SMILES
C1=CC=C2C(=C1)N=C3C(=N2)SC(=NC3=O)NC4=CC=C(C=C4)Br
InChI
InChI=1S/C16H9BrN4OS/c17-9-5-7-10(8-6-9)18-16-21-14(22)13-15(23-16)20-12-4-2-1-3-11(12)19-13/h1-8H,(H,18,21,22)
InChIKey
ZAAVXZZZUVIIFS-UHFFFAOYSA-N
Compound name
2-(4-bromoanilino)-[1,3]thiazino[5,6-b]quinoxalin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

383.96805 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 384.97533 163.2
[M+Na]+ 406.95727 171.9
[M+NH4]+ 402.00187 168.8
[M+K]+ 422.93121 167.9
[M-H]- 382.96077 167.2
[M+Na-2H]- 404.94272 170.9
[M]+ 383.96750 165.2
[M]- 383.96860 165.2
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.