CID 63119

2519-64-4

Structural Information

Molecular Formula

C₂₀H₁₈N₄O₂

SMILES

CC1=NC2=CC=CC=C2C(=O)N1CCN3C(=NC4=CC=CC=C4C3=O)C

InChI

InChI=1S/C20H18N4O2/c1-13-21-17-9-5-3-7-15(17)19(25)23(13)11-12-24-14(2)22-18-10-6-4-8-16(18)20(24)26/h3-10H,11-12H2,1-2H3

InChIKey

ZPUCKESSNXQKLV-UHFFFAOYSA-N

Compound name

2-methyl-3-[2-(2-methyl-4-oxoquinazolin-3-yl)ethyl]quinazolin-4-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 346.14297 Da
Monoisotopic Mass: 1.5
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]+	347.150246	187.0
[M+Na]+	369.132188	200.2
[M-H]-	345.135694	191.2
[M+NH4]+	364.176793	197.0
[M+K]+	385.106128	192.0
[M+H-H2O]+	329.140230	174.8
[M+HCOO]-	391.141171	204.7
[M+CH3COO]-	405.156821	197.4
[M+Na-2H]-	367.117636	193.9
[M]+	346.14242142	192.1
[M]-	346.14351858	192.1

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.