CID 481396

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

Structural Information

Molecular Formula
C14H13NO2S
SMILES
CN1[C@H](C2=CC=CC=C2S1(=O)=O)C3=CC=CC=C3
InChI
InChI=1S/C14H13NO2S/c1-15-14(11-7-3-2-4-8-11)12-9-5-6-10-13(12)18(15,16)17/h2-10,14H,1H3/t14-/m0/s1
InChIKey
LWNGSEVTQKWXCT-AWEZNQCLSA-N
Compound name
(3S)-2-methyl-3-phenyl-3H-1,2-benzothiazole 1,1-dioxide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

259.0667 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 260.07398 155.0
[M+Na]+ 282.05592 166.8
[M-H]- 258.05942 162.6
[M+NH4]+ 277.10052 176.4
[M+K]+ 298.02986 161.9
[M+H-H2O]+ 242.06396 148.8
[M+HCOO]- 304.06490 173.3
[M+CH3COO]- 318.08055 168.8
[M+Na-2H]- 280.04137 158.9
[M]+ 259.06615 158.4
[M]- 259.06725 158.4
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.