CID 3074000

154371-21-8

Structural Information

Molecular Formula
C16H9FN4OS
SMILES
C1=CC=C2C(=C1)N=C3C(=N2)SC(=NC3=O)NC4=CC=C(C=C4)F
InChI
InChI=1S/C16H9FN4OS/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
AZTPBRQBOWJXSU-UHFFFAOYSA-N
Compound name
2-(4-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 167.3
[M+Na]+ 347.03732 185.1
[M+NH4]+ 342.08192 175.8
[M+K]+ 363.01126 174.1
[M-H]- 323.04082 171.8
[M+Na-2H]- 345.02277 177.6
[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.