PubChemLite - Chembl223715 (C24H28N4O4)

Structural Information

Molecular Formula

SMILES

COC1=CC=C(C=C1)CN2C(=O)C3=C(C=C(C=C3)C(=O)NCCN4CCCCC4)NC2=O

InChI

InChI=1S/C24H28N4O4/c1-32-19-8-5-17(6-9-19)16-28-23(30)20-10-7-18(15-21(20)26-24(28)31)22(29)25-11-14-27-12-3-2-4-13-27/h5-10,15H,2-4,11-14,16H2,1H3,(H,25,29)(H,26,31)

InChIKey

RLQXOTMOPGYNGI-UHFFFAOYSA-N

Compound name

3-[(4-methoxyphenyl)methyl]-2,4-dioxo-N-(2-piperidin-1-ylethyl)-1H-quinazoline-7-carboxamide

Related CIDs

2D Structure

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]+	437.21834	206.1
[M+Na]+	459.20028	219.2
[M+NH4]+	454.24488	210.6
[M+K]+	475.17422	211.9
[M-H]-	435.20378	210.0
[M+Na-2H]-	457.18573	212.1
[M]+	436.21051	208.7
[M]-	436.21161	208.7

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

437.21834

206.1

[M+Na]+

459.20028

219.2

[M+NH4]+

454.24488

210.6

[M+K]+

475.17422

211.9

[M-H]-

435.20378

210.0

[M+Na-2H]-

457.18573

212.1

[M]+

436.21051

208.7

[M]-

436.21161

208.7

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.

Chembl223715

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe