CID 3073996

154371-17-2

Structural Information

Molecular Formula
C16H9ClN4OS
SMILES
C1=CC=C2C(=C1)N=C3C(=N2)SC(=NC3=O)NC4=CC=C(C=C4)Cl
InChI
InChI=1S/C16H9ClN4OS/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
YPYZNESVBXKCMV-UHFFFAOYSA-N
Compound name
2-(4-chloroanilino)-[1,3]thiazino[5,6-b]quinoxalin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

340.01855 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 341.02583 172.3
[M+Na]+ 363.00777 192.2
[M+NH4]+ 358.05237 181.9
[M+K]+ 378.98171 179.9
[M-H]- 339.01127 178.4
[M+Na-2H]- 360.99322 183.4
[M]+ 340.01800 178.0
[M]- 340.01910 178.0
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.