CID 471795

Chembl168996

Structural Information

Molecular Formula
C14H12N2O3S2
SMILES
C1=CC=C2C(=C1)C(=O)N(S2)CC3=CC=C(C=C3)S(=O)(=O)N
InChI
InChI=1S/C14H12N2O3S2/c15-21(18,19)11-7-5-10(6-8-11)9-16-14(17)12-3-1-2-4-13(12)20-16/h1-8H,9H2,(H2,15,18,19)
InChIKey
LNAOUULBJZZKDN-UHFFFAOYSA-N
Compound name
4-[(3-oxo-1,2-benzothiazol-2-yl)methyl]benzenesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

320.02893 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 321.03621 170.6
[M+Na]+ 343.01815 182.8
[M-H]- 319.02165 177.6
[M+NH4]+ 338.06275 187.1
[M+K]+ 358.99209 176.0
[M+H-H2O]+ 303.02619 164.6
[M+HCOO]- 365.02713 185.2
[M+CH3COO]- 379.04278 182.8
[M+Na-2H]- 341.00360 174.3
[M]+ 320.02838 175.8
[M]- 320.02948 175.8
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.