CID 510602

2,3-diphenyl-3h-1,2-benzothiazole 1,1-dioxide

Structural Information

Molecular Formula
C19H15NO2S
SMILES
C1=CC=C(C=C1)C2C3=CC=CC=C3S(=O)(=O)N2C4=CC=CC=C4
InChI
InChI=1S/C19H15NO2S/c21-23(22)18-14-8-7-13-17(18)19(15-9-3-1-4-10-15)20(23)16-11-5-2-6-12-16/h1-14,19H
InChIKey
PBQLREIVJGTDKI-UHFFFAOYSA-N
Compound name
2,3-diphenyl-3H-1,2-benzothiazole 1,1-dioxide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

321.08234 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 322.08962 173.7
[M+Na]+ 344.07156 184.8
[M-H]- 320.07506 184.0
[M+NH4]+ 339.11616 191.9
[M+K]+ 360.04550 178.3
[M+H-H2O]+ 304.07960 165.6
[M+HCOO]- 366.08054 191.8
[M+CH3COO]- 380.09619 186.1
[M+Na-2H]- 342.05701 177.1
[M]+ 321.08179 176.1
[M]- 321.08289 176.1
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.