CID 215676

36063-81-7

Structural Information

Molecular Formula

C₂₂H₂₇ClN₂

SMILES

C1CCN2CCCN(CC2C1)C(C3=CC=CC=C3)C4=CC=C(C=C4)Cl

InChI

InChI=1S/C22H27ClN2/c23-20-12-10-19(11-13-20)22(18-7-2-1-3-8-18)25-16-6-15-24-14-5-4-9-21(24)17-25/h1-3,7-8,10-13,21-22H,4-6,9,14-17H2

InChIKey

FJZKUNVXPANJRU-UHFFFAOYSA-N

Compound name

2-[(4-chlorophenyl)-phenylmethyl]-3,4,5,7,8,9,10,10a-octahydro-1H-pyrido[1,2-a][1,4]diazepine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 354.18628 Da
Monoisotopic Mass: 5.2
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]+	355.193556	186.0
[M+Na]+	377.175498	189.1
[M-H]-	353.179004	192.0
[M+NH4]+	372.220103	196.3
[M+K]+	393.149438	185.6
[M+H-H2O]+	337.183540	175.1
[M+HCOO]-	399.184481	193.4
[M+CH3COO]-	413.200131	192.9
[M+Na-2H]-	375.160946	186.6
[M]+	354.18573142	177.3
[M]-	354.18682858	177.3

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.