CID 135414585

1177287-65-8

Structural Information

Molecular Formula

C₁₃H₁₆N₄O

SMILES

C1CN(CCN1)CC2=NC3=CC=CC=C3C(=O)N2

InChI

InChI=1S/C13H16N4O/c18-13-10-3-1-2-4-11(10)15-12(16-13)9-17-7-5-14-6-8-17/h1-4,14H,5-9H2,(H,15,16,18)

InChIKey

XNFJHMZAAZCLKJ-UHFFFAOYSA-N

Compound name

2-(piperazin-1-ylmethyl)-3H-quinazolin-4-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 8
References: 5
Patents: 244.13242 Da
Monoisotopic Mass: 0.1
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]+	245.13970	157.5
[M+Na]+	267.12164	171.1
[M+NH4]+	262.16624	164.4
[M+K]+	283.09558	164.0
[M-H]-	243.12514	159.1
[M+Na-2H]-	265.10709	163.9
[M]+	244.13187	159.7
[M]-	244.13297	159.7

Literature stripe

literature stripe

Patent stripe

patents stripe