CID 3056284

4-benzoyl-6-oxo-2-phenyl-1,3-thiazine

Structural Information

Molecular Formula
C17H11NO3S
SMILES
C1=CC=C(C=C1)C2=NC(=CC(=O)S2)OC(=O)C3=CC=CC=C3
InChI
InChI=1S/C17H11NO3S/c19-15-11-14(21-17(20)13-9-5-2-6-10-13)18-16(22-15)12-7-3-1-4-8-12/h1-11H
InChIKey
VTRXFTSAUSZXLT-UHFFFAOYSA-N
Compound name
(6-oxo-2-phenyl-1,3-thiazin-4-yl) benzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

309.04596 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 310.05324 168.5
[M+Na]+ 332.03518 177.4
[M-H]- 308.03868 177.5
[M+NH4]+ 327.07978 181.8
[M+K]+ 348.00912 172.1
[M+H-H2O]+ 292.04322 159.3
[M+HCOO]- 354.04416 186.9
[M+CH3COO]- 368.05981 180.2
[M+Na-2H]- 330.02063 172.2
[M]+ 309.04541 171.5
[M]- 309.04651 171.5
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.