CID 17896

6-diethylamino-5h-dibenzo(d,f)(1,3)diazepine hydrochloride

Structural Information

Molecular Formula

C₁₇H₁₉N₃

SMILES

CCN(CC)C1=NC2=CC=CC=C2C3=CC=CC=C3N1

InChI

InChI=1S/C17H19N3/c1-3-20(4-2)17-18-15-11-7-5-9-13(15)14-10-6-8-12-16(14)19-17/h5-12H,3-4H2,1-2H3,(H,18,19)

InChIKey

LOEIGNARHDTNQJ-UHFFFAOYSA-N

Compound name

N,N-diethyl-7H-benzo[d][1,3]benzodiazepin-6-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 265.1579 Da
Monoisotopic Mass: 3.2
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]+	266.165176	161.4
[M+Na]+	288.147118	168.4
[M-H]-	264.150624	165.4
[M+NH4]+	283.191723	176.6
[M+K]+	304.121058	167.5
[M+H-H2O]+	248.155160	153.6
[M+HCOO]-	310.156101	180.1
[M+CH3COO]-	324.171751	172.1
[M+Na-2H]-	286.132566	169.3
[M]+	265.15735142	159.2
[M]-	265.15844858	159.2

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.