CID 3038919

41972-85-4

Structural Information

Molecular Formula

C₁₈H₂₀N₂

SMILES

CN(C)CCC1=CC2=CC=CC=C2NC3=CC=CC=C31

InChI

InChI=1S/C18H20N2/c1-20(2)12-11-14-13-15-7-3-5-9-17(15)19-18-10-6-4-8-16(14)18/h3-10,13,19H,11-12H2,1-2H3

InChIKey

XZDNUZNEDRZTKW-UHFFFAOYSA-N

Compound name

2-(11H-benzo[b][1]benzazepin-5-yl)-N,N-dimethylethanamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 264.16266 Da
Monoisotopic Mass: 3.8
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]+	265.169936	160.9
[M+Na]+	287.151878	167.2
[M-H]-	263.155384	166.1
[M+NH4]+	282.196483	177.3
[M+K]+	303.125818	166.3
[M+H-H2O]+	247.159920	154.5
[M+HCOO]-	309.160861	180.5
[M+CH3COO]-	323.176511	171.9
[M+Na-2H]-	285.137326	168.2
[M]+	264.16211142	158.6
[M]-	264.16320858	158.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe