CID 121212

3-(2-(diethylamino)ethyl)-2,4(1h,3h)-quinazolinedione hydrochloride

Structural Information

Molecular Formula

C₁₄H₁₉N₃O₂

SMILES

CCN(CC)CCN1C(=O)C2=CC=CC=C2NC1=O

InChI

InChI=1S/C14H19N3O2/c1-3-16(4-2)9-10-17-13(18)11-7-5-6-8-12(11)15-14(17)19/h5-8H,3-4,9-10H2,1-2H3,(H,15,19)

InChIKey

FLZPQDCVOQGGKZ-UHFFFAOYSA-N

Compound name

3-[2-(diethylamino)ethyl]-1H-quinazoline-2,4-dione

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 261.14774 Da
Monoisotopic Mass: 1.4
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]+	262.155016	159.4
[M+Na]+	284.136958	168.2
[M-H]-	260.140464	161.5
[M+NH4]+	279.181563	174.6
[M+K]+	300.110898	164.2
[M+H-H2O]+	244.145000	151.0
[M+HCOO]-	306.145941	180.3
[M+CH3COO]-	320.161591	201.0
[M+Na-2H]-	282.122406	165.3
[M]+	261.14719142	162.2
[M]-	261.14828858	162.2

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.