CID 47690

65647-11-2

Structural Information

Molecular Formula

C₁₉H₂₃N₃O

SMILES

CN(C)CCN1CCN(C2=CC=CC=C2C1=O)C3=CC=CC=C3

InChI

InChI=1S/C19H23N3O/c1-20(2)12-13-21-14-15-22(16-8-4-3-5-9-16)18-11-7-6-10-17(18)19(21)23/h3-11H,12-15H2,1-2H3

InChIKey

NVEYRGKNUKKVBD-UHFFFAOYSA-N

Compound name

4-[2-(dimethylamino)ethyl]-1-phenyl-2,3-dihydro-1,4-benzodiazepin-5-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 0
Patents: 309.1841 Da
Monoisotopic Mass: 2.9
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]+	310.191376	173.9
[M+Na]+	332.173318	179.1
[M-H]-	308.176824	180.6
[M+NH4]+	327.217923	186.5
[M+K]+	348.147258	179.3
[M+H-H2O]+	292.181360	164.3
[M+HCOO]-	354.182301	192.3
[M+CH3COO]-	368.197951	183.7
[M+Na-2H]-	330.158766	177.7
[M]+	309.18355142	171.1
[M]-	309.18464858	171.1

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.