CID 510593

2-methyl-3-(4-phenylphenyl)-3h-1,2-benzothiazole 1,1-dioxide

Structural Information

Molecular Formula
C20H17NO2S
SMILES
CN1C(C2=CC=CC=C2S1(=O)=O)C3=CC=C(C=C3)C4=CC=CC=C4
InChI
InChI=1S/C20H17NO2S/c1-21-20(18-9-5-6-10-19(18)24(21,22)23)17-13-11-16(12-14-17)15-7-3-2-4-8-15/h2-14,20H,1H3
InChIKey
FYALGRQHZIYUAU-UHFFFAOYSA-N
Compound name
2-methyl-3-(4-phenylphenyl)-3H-1,2-benzothiazole 1,1-dioxide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

335.098 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 336.10528 177.8
[M+Na]+ 358.08722 189.2
[M-H]- 334.09072 188.3
[M+NH4]+ 353.13182 195.7
[M+K]+ 374.06116 182.5
[M+H-H2O]+ 318.09526 169.7
[M+HCOO]- 380.09620 195.4
[M+CH3COO]- 394.11185 190.1
[M+Na-2H]- 356.07267 180.0
[M]+ 335.09745 180.9
[M]- 335.09855 180.9
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.