CID 87670

18472-24-7

Structural Information

Molecular Formula

C₂₀H₂₄N₄O₂

SMILES

CCN(CC)CCCOC1=C(C(=O)N2C=CN=CC2=N1)C3=CC=CC=C3

InChI

InChI=1S/C20H24N4O2/c1-3-23(4-2)12-8-14-26-19-18(16-9-6-5-7-10-16)20(25)24-13-11-21-15-17(24)22-19/h5-7,9-11,13,15H,3-4,8,12,14H2,1-2H3

InChIKey

ROEFGGYGECIPOE-UHFFFAOYSA-N

Compound name

2-[3-(diethylamino)propoxy]-3-phenylpyrazino[1,2-a]pyrimidin-4-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 352.1899 Da
Monoisotopic Mass: 2.1
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]+	353.197176	186.5
[M+Na]+	375.179118	193.7
[M-H]-	351.182624	190.8
[M+NH4]+	370.223723	196.4
[M+K]+	391.153058	188.7
[M+H-H2O]+	335.187160	174.4
[M+HCOO]-	397.188101	206.3
[M+CH3COO]-	411.203751	220.6
[M+Na-2H]-	373.164566	192.1
[M]+	352.18935142	191.3
[M]-	352.19044858	191.3

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.