CID 11042597

79098-75-2

Structural Information

Molecular Formula

C₁₃H₁₇N₃O

SMILES

C1CNCCC1N2CC3=CC=CC=C3NC2=O

InChI

InChI=1S/C13H17N3O/c17-13-15-12-4-2-1-3-10(12)9-16(13)11-5-7-14-8-6-11/h1-4,11,14H,5-9H2,(H,15,17)

InChIKey

KSTFHYBYFDYWSD-UHFFFAOYSA-N

Compound name

3-piperidin-4-yl-1,4-dihydroquinazolin-2-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 311
Patents: 231.13716 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]+	232.144436	155.3
[M+Na]+	254.126378	159.9
[M-H]-	230.129884	154.6
[M+NH4]+	249.170983	168.0
[M+K]+	270.100318	154.0
[M+H-H2O]+	214.134420	145.8
[M+HCOO]-	276.135361	165.8
[M+CH3COO]-	290.151011	163.7
[M+Na-2H]-	252.111826	159.5
[M]+	231.13661142	144.9
[M]-	231.13770858	144.9

Literature stripe

literature stripe

Patent stripe

patents stripe