CID 16227515

1803597-91-2

Structural Information

Molecular Formula

C₁₁H₁₄N₄OS

SMILES

C1CN(CCN1)CC2=NC(=NO2)C3=CC=CS3

InChI

InChI=1S/C11H14N4OS/c1-2-9(17-7-1)11-13-10(16-14-11)8-15-5-3-12-4-6-15/h1-2,7,12H,3-6,8H2

InChIKey

GCWWJONDLAANOF-UHFFFAOYSA-N

Compound name

5-(piperazin-1-ylmethyl)-3-thiophen-2-yl-1,2,4-oxadiazole

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 250.08884 Da
Monoisotopic Mass: 0.7
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]+	251.096116	152.0
[M+Na]+	273.078058	161.0
[M-H]-	249.081564	156.6
[M+NH4]+	268.122663	165.9
[M+K]+	289.051998	157.9
[M+H-H2O]+	233.086100	143.6
[M+HCOO]-	295.087041	165.8
[M+CH3COO]-	309.102691	163.5
[M+Na-2H]-	271.063506	152.1
[M]+	250.08829142	151.6
[M]-	250.08938858	151.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe