CID 135514859

Nsc131354

Structural Information

Molecular Formula

C₂₂H₂₀N₄O

SMILES

C1CN(CCN1C2=CC=CC=C2)C3=NC4=CC5=CC=CC=C5C=C4C(=O)N3

InChI

InChI=1S/C22H20N4O/c27-21-19-14-16-6-4-5-7-17(16)15-20(19)23-22(24-21)26-12-10-25(11-13-26)18-8-2-1-3-9-18/h1-9,14-15H,10-13H2,(H,23,24,27)

InChIKey

FGYCPVBLVCOZHR-UHFFFAOYSA-N

Compound name

2-(4-phenylpiperazin-1-yl)-3H-benzo[g]quinazolin-4-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 0
Patents: 356.1637 Da
Monoisotopic Mass: 3.5
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]+	357.170976	188.0
[M+Na]+	379.152918	196.1
[M-H]-	355.156424	192.0
[M+NH4]+	374.197523	195.4
[M+K]+	395.126858	186.5
[M+H-H2O]+	339.160960	174.3
[M+HCOO]-	401.161901	200.1
[M+CH3COO]-	415.177551	195.5
[M+Na-2H]-	377.138366	194.4
[M]+	356.16315142	183.5
[M]-	356.16424858	183.5

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.