CID 3073999

154371-20-7

Structural Information

Molecular Formula
C16H9FN4OS
SMILES
C1=CC=C2C(=C1)N=C3C(=N2)SC(=NC3=O)NC4=CC=CC=C4F
InChI
InChI=1S/C16H9FN4OS/c17-9-5-1-2-6-10(9)20-16-21-14(22)13-15(23-16)19-12-8-4-3-7-11(12)18-13/h1-8H,(H,20,21,22)
InChIKey
XHTCERDXRXDWJO-UHFFFAOYSA-N
Compound name
2-(2-fluoroanilino)-[1,3]thiazino[5,6-b]quinoxalin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

324.0481 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 325.05538 168.8
[M+Na]+ 347.03732 181.8
[M-H]- 323.04082 173.0
[M+NH4]+ 342.08192 181.3
[M+K]+ 363.01126 173.5
[M+H-H2O]+ 307.04536 158.2
[M+HCOO]- 369.04630 184.7
[M+CH3COO]- 383.06195 180.0
[M+Na-2H]- 345.02277 177.8
[M]+ 324.04755 171.8
[M]- 324.04865 171.8
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.

Patent stripe

No patent data available for this compound.