CID 83672046

2097936-80-4

Structural Information

Molecular Formula

C₁₃H₁₅N₃O

SMILES

C1CC(CNC1)N2C=NC3=CC=CC=C3C2=O

InChI

InChI=1S/C13H15N3O/c17-13-11-5-1-2-6-12(11)15-9-16(13)10-4-3-7-14-8-10/h1-2,5-6,9-10,14H,3-4,7-8H2

InChIKey

UVJBIIMGZSTPCV-UHFFFAOYSA-N

Compound name

3-piperidin-3-ylquinazolin-4-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 10
Patents: 229.1215 Da
Monoisotopic Mass: 1.0
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]+	230.12878	152.3
[M+Na]+	252.11072	159.3
[M-H]-	228.11422	153.7
[M+NH4]+	247.15532	166.0
[M+K]+	268.08466	153.7
[M+H-H2O]+	212.11876	142.5
[M+HCOO]-	274.11970	167.2
[M+CH3COO]-	288.13535	162.4
[M+Na-2H]-	250.09617	158.9
[M]+	229.12095	146.5
[M]-	229.12205	146.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe