CID 3053882

Piperazine, 1-methyl-4-(1-oxo-3-(4-oxo-2-phenyl-3(4h)-quinazolinyl)propyl)-

Structural Information

Molecular Formula

C₂₂H₂₄N₄O₂

SMILES

CN1CCN(CC1)C(=O)CCN2C(=NC3=CC=CC=C3C2=O)C4=CC=CC=C4

InChI

InChI=1S/C22H24N4O2/c1-24-13-15-25(16-14-24)20(27)11-12-26-21(17-7-3-2-4-8-17)23-19-10-6-5-9-18(19)22(26)28/h2-10H,11-16H2,1H3

InChIKey

UBOUSGVXVUUZMD-UHFFFAOYSA-N

Compound name

3-[3-(4-methylpiperazin-1-yl)-3-oxopropyl]-2-phenylquinazolin-4-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 376.1899 Da
Monoisotopic Mass: 1.8
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]+	377.197176	194.8
[M+Na]+	399.179118	200.9
[M-H]-	375.182624	198.8
[M+NH4]+	394.223723	201.1
[M+K]+	415.153058	193.7
[M+H-H2O]+	359.187160	181.3
[M+HCOO]-	421.188101	206.9
[M+CH3COO]-	435.203751	201.9
[M+Na-2H]-	397.164566	196.7
[M]+	376.18935142	192.1
[M]-	376.19044858	192.1

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.