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: 20
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]+	230.128776	152.3
[M+Na]+	252.110718	159.3
[M-H]-	228.114224	153.7
[M+NH4]+	247.155323	166.0
[M+K]+	268.084658	153.7
[M+H-H2O]+	212.118760	142.5
[M+HCOO]-	274.119701	167.2
[M+CH3COO]-	288.135351	162.4
[M+Na-2H]-	250.096166	158.9
[M]+	229.12095142	146.5
[M]-	229.12204858	146.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe