CID 15954025

2-[[5-(benzenesulfonylmethyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-1-(4-chlorophenyl)ethanone

Structural Information

Molecular Formula
C17H13ClN2O4S2
SMILES
C1=CC=C(C=C1)S(=O)(=O)CC2=NN=C(O2)SCC(=O)C3=CC=C(C=C3)Cl
InChI
InChI=1S/C17H13ClN2O4S2/c18-13-8-6-12(7-9-13)15(21)10-25-17-20-19-16(24-17)11-26(22,23)14-4-2-1-3-5-14/h1-9H,10-11H2
InChIKey
QCCRABKMBLNCNS-UHFFFAOYSA-N
Compound name
2-[[5-(benzenesulfonylmethyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-1-(4-chlorophenyl)ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

408.00052 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 409.00780 190.6
[M+Na]+ 430.98974 200.7
[M-H]- 406.99324 199.3
[M+NH4]+ 426.03434 200.6
[M+K]+ 446.96368 195.0
[M+H-H2O]+ 390.99778 183.6
[M+HCOO]- 452.99872 197.2
[M+CH3COO]- 467.01437 213.1
[M+Na-2H]- 428.97519 191.2
[M]+ 407.99997 198.5
[M]- 408.00107 198.5
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.