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 178.5
[M+Na]+ 370.08318 184.0
[M-H]- 346.08668 183.4
[M+NH4]+ 365.12778 187.2
[M+K]+ 386.05712 180.9
[M+H-H2O]+ 330.09122 169.5
[M+HCOO]- 392.09216 188.3
[M+CH3COO]- 406.10781 204.5
[M+Na-2H]- 368.06863 176.4
[M]+ 347.09341 178.6
[M]- 347.09451 178.6
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.