CID 473062

3-acetyl-6-benzoyl-1,3-benzothiazol-2-one

Structural Information

Molecular Formula
C16H11NO3S
SMILES
CC(=O)N1C2=C(C=C(C=C2)C(=O)C3=CC=CC=C3)SC1=O
InChI
InChI=1S/C16H11NO3S/c1-10(18)17-13-8-7-12(9-14(13)21-16(17)20)15(19)11-5-3-2-4-6-11/h2-9H,1H3
InChIKey
CCKPYLGMDIWCHB-UHFFFAOYSA-N
Compound name
3-acetyl-6-benzoyl-1,3-benzothiazol-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

297.04596 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 298.05324 165.6
[M+Na]+ 320.03518 176.9
[M-H]- 296.03868 173.5
[M+NH4]+ 315.07978 183.2
[M+K]+ 336.00912 172.0
[M+H-H2O]+ 280.04322 158.8
[M+HCOO]- 342.04416 184.2
[M+CH3COO]- 356.05981 178.7
[M+Na-2H]- 318.02063 167.0
[M]+ 297.04541 171.5
[M]- 297.04651 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

literature stripe

Patent stripe

No patent data available for this compound.