CID 509130

Chembl83526

Structural Information

Molecular Formula
C19H15NO3S
SMILES
C1C(=O)C2=CC=CC=C2S(=O)(=O)N1CC3=CC4=CC=CC=C4C=C3
InChI
InChI=1S/C19H15NO3S/c21-18-13-20(24(22,23)19-8-4-3-7-17(18)19)12-14-9-10-15-5-1-2-6-16(15)11-14/h1-11H,12-13H2
InChIKey
TVRVBUDTMISAFE-UHFFFAOYSA-N
Compound name
2-(naphthalen-2-ylmethyl)-1,1-dioxo-3H-1lambda6,2-benzothiazin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

337.07727 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 338.08455 175.0
[M+Na]+ 360.06649 185.3
[M-H]- 336.06999 182.2
[M+NH4]+ 355.11109 191.6
[M+K]+ 376.04043 179.0
[M+H-H2O]+ 320.07453 166.1
[M+HCOO]- 382.07547 189.1
[M+CH3COO]- 396.09112 186.1
[M+Na-2H]- 358.05194 180.9
[M]+ 337.07672 177.3
[M]- 337.07782 177.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.