CID 22028230

2460756-89-0

Structural Information

Molecular Formula

C₁₃H₁₄ClN₃O

SMILES

C1CNCCC1C2=NN=C(O2)C3=CC=C(C=C3)Cl

InChI

InChI=1S/C13H14ClN3O/c14-11-3-1-9(2-4-11)12-16-17-13(18-12)10-5-7-15-8-6-10/h1-4,10,15H,5-8H2

InChIKey

XRCLALYWUKGUMH-UHFFFAOYSA-N

Compound name

2-(4-chlorophenyl)-5-piperidin-4-yl-1,3,4-oxadiazole

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 13
Patents: 263.08255 Da
Monoisotopic Mass: 2.2
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]+	264.089826	159.0
[M+Na]+	286.071768	166.3
[M-H]-	262.075274	163.2
[M+NH4]+	281.116373	171.5
[M+K]+	302.045708	161.2
[M+H-H2O]+	246.079810	149.1
[M+HCOO]-	308.080751	170.4
[M+CH3COO]-	322.096401	169.3
[M+Na-2H]-	284.057216	161.8
[M]+	263.08200142	155.9
[M]-	263.08309858	155.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe