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]+ 474.16280 206.9
[M+Na]+ 496.14474 213.1
[M-H]- 472.14824 212.9
[M+NH4]+ 491.18934 208.9
[M+K]+ 512.11868 206.9
[M+H-H2O]+ 456.15278 196.9
[M+HCOO]- 518.15372 209.9
[M+CH3COO]- 532.16937 212.9
[M+Na-2H]- 494.13019 205.1
[M]+ 473.15497 208.4
[M]- 473.15607 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.