CID 19791

5h-dibenzo(b,e)(1,4)diazepin-11-one, 10,11-dihydro-7-chloro-10-(2-(piperidino)ethyl)-

Structural Information

Molecular Formula

C₂₀H₂₂ClN₃O

SMILES

C1CCN(CC1)CCN2C3=C(C=C(C=C3)Cl)NC4=CC=CC=C4C2=O

InChI

InChI=1S/C20H22ClN3O/c21-15-8-9-19-18(14-15)22-17-7-3-2-6-16(17)20(25)24(19)13-12-23-10-4-1-5-11-23/h2-3,6-9,14,22H,1,4-5,10-13H2

InChIKey

UMRGWBDONVRWGB-UHFFFAOYSA-N

Compound name

2-chloro-5-(2-piperidin-1-ylethyl)-11H-benzo[b][1,4]benzodiazepin-6-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 355.14514 Da
Monoisotopic Mass: 4.1
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]+	356.152416	185.0
[M+Na]+	378.134358	192.0
[M-H]-	354.137864	187.7
[M+NH4]+	373.178963	195.3
[M+K]+	394.108298	187.6
[M+H-H2O]+	338.142400	174.2
[M+HCOO]-	400.143341	191.5
[M+CH3COO]-	414.158991	192.4
[M+Na-2H]-	376.119806	187.6
[M]+	355.14459142	179.0
[M]-	355.14568858	179.0

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.