CID 1453694

1-(thiophen-2-ylacetyl)-4-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)piperidine

Structural Information

Molecular Formula
C17H17N3O2S2
SMILES
C1CN(CCC1C2=NC(=NO2)C3=CC=CS3)C(=O)CC4=CC=CS4
InChI
InChI=1S/C17H17N3O2S2/c21-15(11-13-3-1-9-23-13)20-7-5-12(6-8-20)17-18-16(19-22-17)14-4-2-10-24-14/h1-4,9-10,12H,5-8,11H2
InChIKey
SJEVDMFUHCVNPM-UHFFFAOYSA-N
Compound name
2-thiophen-2-yl-1-[4-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

12
Patents

359.07623 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 360.08351 180.1
[M+Na]+ 382.06545 190.3
[M-H]- 358.06895 191.6
[M+NH4]+ 377.11005 194.3
[M+K]+ 398.03939 187.3
[M+H-H2O]+ 342.07349 174.4
[M+HCOO]- 404.07443 192.2
[M+CH3COO]- 418.09008 191.5
[M+Na-2H]- 380.05090 174.2
[M]+ 359.07568 183.8
[M]- 359.07678 183.8
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

patents stripe