CID 510607

2,5-dimethyl-3-phenyl-3h-1,2-benzothiazole 1,1-dioxide

Structural Information

Molecular Formula
C15H15NO2S
SMILES
CC1=CC2=C(C=C1)S(=O)(=O)N(C2C3=CC=CC=C3)C
InChI
InChI=1S/C15H15NO2S/c1-11-8-9-14-13(10-11)15(16(2)19(14,17)18)12-6-4-3-5-7-12/h3-10,15H,1-2H3
InChIKey
QTSTWDUUHLHRLT-UHFFFAOYSA-N
Compound name
2,5-dimethyl-3-phenyl-3H-1,2-benzothiazole 1,1-dioxide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

273.08234 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 274.08962 158.8
[M+Na]+ 296.07156 170.9
[M-H]- 272.07506 166.5
[M+NH4]+ 291.11616 179.9
[M+K]+ 312.04550 165.8
[M+H-H2O]+ 256.07960 152.7
[M+HCOO]- 318.08054 176.7
[M+CH3COO]- 332.09619 172.4
[M+Na-2H]- 294.05701 161.6
[M]+ 273.08179 163.0
[M]- 273.08289 163.0
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.