CID 135399236

16822-65-4

Structural Information

Molecular Formula

C₁₃H₁₆N₄O

SMILES

CN1CCN(CC1)C2=NC3=CC=CC=C3C(=O)N2

InChI

InChI=1S/C13H16N4O/c1-16-6-8-17(9-7-16)13-14-11-5-3-2-4-10(11)12(18)15-13/h2-5H,6-9H2,1H3,(H,14,15,18)

InChIKey

WWOMJAJTOOLHDS-UHFFFAOYSA-N

Compound name

2-(4-methylpiperazin-1-yl)-3H-quinazolin-4-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 3
Patents: 244.13242 Da
Monoisotopic Mass: 0.5
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	158.7
[M+Na]+	267.12164	166.7
[M-H]-	243.12514	159.0
[M+NH4]+	262.16624	170.7
[M+K]+	283.09558	160.8
[M+H-H2O]+	227.12968	148.2
[M+HCOO]-	289.13062	172.1
[M+CH3COO]-	303.14627	168.3
[M+Na-2H]-	265.10709	164.4
[M]+	244.13187	153.8
[M]-	244.13297	153.8

Literature stripe

literature stripe

Patent stripe

patents stripe