CID 18690028

Tert-butyl 4-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)piperidine-1-carboxylate

Structural Information

Molecular Formula
C16H21N3O3S
SMILES
CC(C)(C)OC(=O)N1CCC(CC1)C2=NC(=NO2)C3=CC=CS3
InChI
InChI=1S/C16H21N3O3S/c1-16(2,3)21-15(20)19-8-6-11(7-9-19)14-17-13(18-22-14)12-5-4-10-23-12/h4-5,10-11H,6-9H2,1-3H3
InChIKey
METBQPRXNZHZMB-UHFFFAOYSA-N
Compound name
tert-butyl 4-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)piperidine-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

10
Patents

335.13037 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 336.13765 178.7
[M+Na]+ 358.11959 186.6
[M-H]- 334.12309 186.3
[M+NH4]+ 353.16419 191.5
[M+K]+ 374.09353 185.0
[M+H-H2O]+ 318.12763 171.2
[M+HCOO]- 380.12857 191.6
[M+CH3COO]- 394.14422 203.4
[M+Na-2H]- 356.10504 176.8
[M]+ 335.12982 182.5
[M]- 335.13092 182.5
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

patents stripe