CID 2761144

244272-35-3

Structural Information

Molecular Formula

C₁₁H₁₃N₃OS

SMILES

C1CNCCC1C2=NC(=NO2)C3=CC=CS3

InChI

InChI=1S/C11H13N3OS/c1-2-9(16-7-1)10-13-11(15-14-10)8-3-5-12-6-4-8/h1-2,7-8,12H,3-6H2

InChIKey

XALUYQULRYNAPI-UHFFFAOYSA-N

Compound name

5-piperidin-4-yl-3-thiophen-2-yl-1,2,4-oxadiazole

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 13
Patents: 235.07793 Da
Monoisotopic Mass: 1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	236.08521	148.9
[M+Na]+	258.06715	161.3
[M+NH4]+	253.11175	157.4
[M+K]+	274.04109	157.0
[M-H]-	234.07065	153.8
[M+Na-2H]-	256.05260	156.0
[M]+	235.07738	152.4
[M]-	235.07848	152.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe