CID 3073997

154371-18-3

Structural Information

Molecular Formula
C16H9ClN4OS
SMILES
C1=CC=C2C(=C1)N=C3C(=N2)SC(=NC3=O)NC4=CC(=CC=C4)Cl
InChI
InChI=1S/C16H9ClN4OS/c17-9-4-3-5-10(8-9)18-16-21-14(22)13-15(23-16)20-12-7-2-1-6-11(12)19-13/h1-8H,(H,18,21,22)
InChIKey
XWYRSWUGWUNDDT-UHFFFAOYSA-N
Compound name
2-(3-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 170.9
[M+Na]+ 363.00777 184.5
[M-H]- 339.01127 176.3
[M+NH4]+ 358.05237 183.8
[M+K]+ 378.98171 175.8
[M+H-H2O]+ 323.01581 161.9
[M+HCOO]- 385.01675 183.3
[M+CH3COO]- 399.03240 182.4
[M+Na-2H]- 360.99322 180.2
[M]+ 340.01800 177.1
[M]- 340.01910 177.1
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.