CID 2436027

735336-29-5

Structural Information

Molecular Formula
C16H17N3O4S
SMILES
C1CN(CCC1C(=O)O)C(=O)CSC2=NN=C(O2)C3=CC=CC=C3
InChI
InChI=1S/C16H17N3O4S/c20-13(19-8-6-12(7-9-19)15(21)22)10-24-16-18-17-14(23-16)11-4-2-1-3-5-11/h1-5,12H,6-10H2,(H,21,22)
InChIKey
KEHBRYUBDOXNGF-UHFFFAOYSA-N
Compound name
1-[2-[(5-phenyl-1,3,4-oxadiazol-2-yl)sulfanyl]acetyl]piperidine-4-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

5
References

0
Patents

347.09396 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 348.10124 177.7
[M+Na]+ 370.08318 188.2
[M+NH4]+ 365.12778 182.9
[M+K]+ 386.05712 184.0
[M-H]- 346.08668 180.8
[M+Na-2H]- 368.06863 182.3
[M]+ 347.09341 180.2
[M]- 347.09451 180.2
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.