CID 481398

(s)-3-(4-methoxy-phenyl)-2-methyl-2,3-dihydro-1,2-benzisothiazole 1,1-dioxide

Structural Information

Molecular Formula
C15H15NO3S
SMILES
CN1[C@H](C2=CC=CC=C2S1(=O)=O)C3=CC=C(C=C3)OC
InChI
InChI=1S/C15H15NO3S/c1-16-15(11-7-9-12(19-2)10-8-11)13-5-3-4-6-14(13)20(16,17)18/h3-10,15H,1-2H3/t15-/m0/s1
InChIKey
AGMLDWZOMOUTDX-HNNXBMFYSA-N
Compound name
(3S)-3-(4-methoxyphenyl)-2-methyl-3H-1,2-benzothiazole 1,1-dioxide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

289.07727 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 290.08455 162.3
[M+Na]+ 312.06649 174.1
[M-H]- 288.06999 169.9
[M+NH4]+ 307.11109 182.6
[M+K]+ 328.04043 169.7
[M+H-H2O]+ 272.07453 156.0
[M+HCOO]- 334.07547 180.3
[M+CH3COO]- 348.09112 175.7
[M+Na-2H]- 310.05194 165.3
[M]+ 289.07672 167.9
[M]- 289.07782 167.9
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.