CID 3079850

Brn 0839503

Structural Information

Molecular Formula

C₂₀H₂₃N₃O

SMILES

CN(C)CCCN1C(=O)CC(=NC2=CC=CC=C21)C3=CC=CC=C3

InChI

InChI=1S/C20H23N3O/c1-22(2)13-8-14-23-19-12-7-6-11-17(19)21-18(15-20(23)24)16-9-4-3-5-10-16/h3-7,9-12H,8,13-15H2,1-2H3

InChIKey

GHOXUBCKBWJHMH-UHFFFAOYSA-N

Compound name

1-[3-(dimethylamino)propyl]-4-phenyl-3H-1,5-benzodiazepin-2-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 321.1841 Da
Monoisotopic Mass: 3.0
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]+	322.191376	177.6
[M+Na]+	344.173318	183.4
[M-H]-	320.176824	184.5
[M+NH4]+	339.217923	189.8
[M+K]+	360.147258	183.3
[M+H-H2O]+	304.181360	167.9
[M+HCOO]-	366.182301	197.0
[M+CH3COO]-	380.197951	187.5
[M+Na-2H]-	342.158766	181.9
[M]+	321.18355142	176.4
[M]-	321.18464858	176.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe