CID 148184

Ampalex

Structural Information

Molecular Formula

C₁₄H₁₅N₃O

SMILES

C1CCN(CC1)C(=O)C2=CC3=NC=CN=C3C=C2

InChI

InChI=1S/C14H15N3O/c18-14(17-8-2-1-3-9-17)11-4-5-12-13(10-11)16-7-6-15-12/h4-7,10H,1-3,8-9H2

InChIKey

ANDGGVOPIJEHOF-UHFFFAOYSA-N

Compound name

piperidin-1-yl(quinoxalin-6-yl)methanone

Related CIDs

2D Structure

compound 2d structure

5
Annotation Hits: 67
References: 1046
Patents: 241.1215 Da
Monoisotopic Mass: 1.8
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]+	242.12878	155.6
[M+Na]+	264.11072	161.4
[M-H]-	240.11422	157.9
[M+NH4]+	259.15532	169.1
[M+K]+	280.08466	157.0
[M+H-H2O]+	224.11876	145.2
[M+HCOO]-	286.11970	170.7
[M+CH3COO]-	300.13535	165.6
[M+Na-2H]-	262.09617	161.9
[M]+	241.12095	150.8
[M]-	241.12205	150.8

Literature stripe

literature stripe

Patent stripe

patents stripe