CID 5276695

Schembl15059994

Structural Information

Molecular Formula

C₁₄H₁₈N₄O₂

SMILES

CC1CCCN(C1)CN2C(=O)OC(=N2)C3=CC=NC=C3

InChI

InChI=1S/C14H18N4O2/c1-11-3-2-8-17(9-11)10-18-14(19)20-13(16-18)12-4-6-15-7-5-12/h4-7,11H,2-3,8-10H2,1H3

InChIKey

FNIUEIYCQLQSMP-UHFFFAOYSA-N

Compound name

3-[(3-methylpiperidin-1-yl)methyl]-5-pyridin-4-yl-1,3,4-oxadiazol-2-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 4
Patents: 274.14297 Da
Monoisotopic Mass: 2.0
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]+	275.15025	164.1
[M+Na]+	297.13219	171.9
[M-H]-	273.13569	168.9
[M+NH4]+	292.17679	174.8
[M+K]+	313.10613	168.6
[M+H-H2O]+	257.14023	153.0
[M+HCOO]-	319.14117	180.3
[M+CH3COO]-	333.15682	174.5
[M+Na-2H]-	295.11764	166.4
[M]+	274.14242	162.8
[M]-	274.14352	162.8

Literature stripe

literature stripe

Patent stripe

patents stripe