CID 471797

Chembl172615

Structural Information

Molecular Formula
C15H14N2O3S2
SMILES
C1=CC=C2C(=C1)C(=O)N(S2)CCC3=CC=C(C=C3)S(=O)(=O)N
InChI
InChI=1S/C15H14N2O3S2/c16-22(19,20)12-7-5-11(6-8-12)9-10-17-15(18)13-3-1-2-4-14(13)21-17/h1-8H,9-10H2,(H2,16,19,20)
InChIKey
UBRDEXQNZPKREB-UHFFFAOYSA-N
Compound name
4-[2-(3-oxo-1,2-benzothiazol-2-yl)ethyl]benzenesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

334.0446 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 335.05188 174.8
[M+Na]+ 357.03382 186.5
[M-H]- 333.03732 181.6
[M+NH4]+ 352.07842 190.7
[M+K]+ 373.00776 179.5
[M+H-H2O]+ 317.04186 168.5
[M+HCOO]- 379.04280 189.1
[M+CH3COO]- 393.05845 205.2
[M+Na-2H]- 355.01927 178.1
[M]+ 334.04405 180.3
[M]- 334.04515 180.3
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.