CID 15954029

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

Structural Information

Molecular Formula
C22H27N5O3S2
SMILES
CCC(C1=NN=C(O1)SCCN2CCN(CC2)C3=CC=CC=N3)S(=O)(=O)C4=CC=CC=C4
InChI
InChI=1S/C22H27N5O3S2/c1-2-19(32(28,29)18-8-4-3-5-9-18)21-24-25-22(30-21)31-17-16-26-12-14-27(15-13-26)20-10-6-7-11-23-20/h3-11,19H,2,12-17H2,1H3
InChIKey
ZDHKDBWZWUVNTP-UHFFFAOYSA-N
Compound name
2-[1-(benzenesulfonyl)propyl]-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

473.15552 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 474.162796 206.9
[M+Na]+ 496.144738 213.1
[M-H]- 472.148244 212.9
[M+NH4]+ 491.189343 208.9
[M+K]+ 512.118678 206.9
[M+H-H2O]+ 456.152780 196.9
[M+HCOO]- 518.153721 209.9
[M+CH3COO]- 532.169371 212.9
[M+Na-2H]- 494.130186 205.1
[M]+ 473.15497142 208.4
[M]- 473.15606858 208.4
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.