CID 15549372

2172474-28-9

Structural Information

Molecular Formula

C₁₃H₁₅N₃O

SMILES

C1CNCCC1N2C=NC3=CC=CC=C3C2=O

InChI

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

InChIKey

RCSWKIOCGLYWMS-UHFFFAOYSA-N

Compound name

3-piperidin-4-ylquinazolin-4-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 17
Patents: 229.1215 Da
Monoisotopic Mass: 0.8
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]+	230.12878	152.5
[M+Na]+	252.11072	167.0
[M+NH4]+	247.15532	160.7
[M+K]+	268.08466	159.3
[M-H]-	228.11422	155.5
[M+Na-2H]-	250.09617	160.1
[M]+	229.12095	155.3
[M]-	229.12205	155.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe