CID 15954031

2-(benzenesulfonylmethyl)-5-[2-[4-(2-pyridyl)piperazin-1-yl]ethylsulfanyl]-1,3,4-oxadiazole

Structural Information

Molecular Formula
C20H23N5O3S2
SMILES
C1CN(CCN1CCSC2=NN=C(O2)CS(=O)(=O)C3=CC=CC=C3)C4=CC=CC=N4
InChI
InChI=1S/C20H23N5O3S2/c26-30(27,17-6-2-1-3-7-17)16-19-22-23-20(28-19)29-15-14-24-10-12-25(13-11-24)18-8-4-5-9-21-18/h1-9H,10-16H2
InChIKey
WCDPKBIYNLEZSG-UHFFFAOYSA-N
Compound name
2-(benzenesulfonylmethyl)-5-[2-(4-pyridin-2-ylpiperazin-1-yl)ethylsulfanyl]-1,3,4-oxadiazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

445.12424 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 446.13152 200.0
[M+Na]+ 468.11346 207.6
[M-H]- 444.11696 206.3
[M+NH4]+ 463.15806 203.3
[M+K]+ 484.08740 201.2
[M+H-H2O]+ 428.12150 190.2
[M+HCOO]- 490.12244 204.7
[M+CH3COO]- 504.13809 206.9
[M+Na-2H]- 466.09891 199.7
[M]+ 445.12369 201.4
[M]- 445.12479 201.4
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.