CID 471763

Chembl169480

Structural Information

Molecular Formula
C20H14N2O4S2
SMILES
C1=CC=C(C=C1)C(=O)NS(=O)(=O)C2=CC=C(C=C2)N3C(=O)C4=CC=CC=C4S3
InChI
InChI=1S/C20H14N2O4S2/c23-19(14-6-2-1-3-7-14)21-28(25,26)16-12-10-15(11-13-16)22-20(24)17-8-4-5-9-18(17)27-22/h1-13H,(H,21,23)
InChIKey
UDVSQLYYDVUSLB-UHFFFAOYSA-N
Compound name
N-[4-(3-oxo-1,2-benzothiazol-2-yl)phenyl]sulfonylbenzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

410.0395 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 411.04678 195.0
[M+Na]+ 433.02872 205.5
[M-H]- 409.03222 205.1
[M+NH4]+ 428.07332 207.2
[M+K]+ 449.00266 198.4
[M+H-H2O]+ 393.03676 187.6
[M+HCOO]- 455.03770 209.1
[M+CH3COO]- 469.05335 205.4
[M+Na-2H]- 431.01417 199.0
[M]+ 410.03895 200.6
[M]- 410.04005 200.6
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.