CID 473046

133044-32-3

Structural Information

Molecular Formula
C15H11NO2S
SMILES
CN1C2=C(C=C(C=C2)C(=O)C3=CC=CC=C3)SC1=O
InChI
InChI=1S/C15H11NO2S/c1-16-12-8-7-11(9-13(12)19-15(16)18)14(17)10-5-3-2-4-6-10/h2-9H,1H3
InChIKey
OYSOFVGLZRUOHB-UHFFFAOYSA-N
Compound name
6-benzoyl-3-methyl-1,3-benzothiazol-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

5
Patents

269.05106 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 270.05834 158.1
[M+Na]+ 292.04028 170.2
[M-H]- 268.04378 166.1
[M+NH4]+ 287.08488 177.1
[M+K]+ 308.01422 165.0
[M+H-H2O]+ 252.04832 151.5
[M+HCOO]- 314.04926 177.8
[M+CH3COO]- 328.06491 171.9
[M+Na-2H]- 290.02573 160.9
[M]+ 269.05051 163.7
[M]- 269.05161 163.7
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.