CID 11537071

Chembl208837

Structural Information

Molecular Formula

C₁₉H₁₉N₃O₂

SMILES

C1COCCN1C2C(=O)NC3=CC=CC=C3C(=N2)C4=CC=CC=C4

InChI

InChI=1S/C19H19N3O2/c23-19-18(22-10-12-24-13-11-22)21-17(14-6-2-1-3-7-14)15-8-4-5-9-16(15)20-19/h1-9,18H,10-13H2,(H,20,23)

InChIKey

PVGNMUJCOCLQRC-UHFFFAOYSA-N

Compound name

3-morpholin-4-yl-5-phenyl-1,3-dihydro-1,4-benzodiazepin-2-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 0
Patents: 321.14774 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]+	322.155016	177.9
[M+Na]+	344.136958	182.9
[M-H]-	320.140464	183.8
[M+NH4]+	339.181563	185.6
[M+K]+	360.110898	181.7
[M+H-H2O]+	304.145000	166.6
[M+HCOO]-	366.145941	189.7
[M+CH3COO]-	380.161591	185.8
[M+Na-2H]-	342.122406	181.8
[M]+	321.14719142	169.8
[M]-	321.14828858	169.8

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.