CID 3074690

6h-pyrimido(2,1-b)quinazolin-6-one, 1,2,3,4-tetrahydro-1-((4-phenyl-1-piperazinyl)acetyl)-

Structural Information

Molecular Formula

C₂₃H₂₅N₅O₂

SMILES

C1CN2C(=O)C3=CC=CC=C3N=C2N(C1)C(=O)CN4CCN(CC4)C5=CC=CC=C5

InChI

InChI=1S/C23H25N5O2/c29-21(17-25-13-15-26(16-14-25)18-7-2-1-3-8-18)27-11-6-12-28-22(30)19-9-4-5-10-20(19)24-23(27)28/h1-5,7-10H,6,11-17H2

InChIKey

IPAPJDCSKXSFFF-UHFFFAOYSA-N

Compound name

1-[2-(4-phenylpiperazin-1-yl)acetyl]-3,4-dihydro-2H-pyrimido[2,1-b]quinazolin-6-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 403.20084 Da
Monoisotopic Mass: 2.5
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]+	404.208116	201.4
[M+Na]+	426.190058	206.0
[M-H]-	402.193564	203.9
[M+NH4]+	421.234663	205.5
[M+K]+	442.163998	197.9
[M+H-H2O]+	386.198100	186.1
[M+HCOO]-	448.199041	208.2
[M+CH3COO]-	462.214691	206.4
[M+Na-2H]-	424.175506	203.4
[M]+	403.20029142	195.1
[M]-	403.20138858	195.1

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.