CID 36046

10,11-dihydro-5h-dibenzo(b,e)(1,4)diazepine hydrochloride

Structural Information

Molecular Formula

C₁₃H₁₂N₂

SMILES

C1C2=CC=CC=C2NC3=CC=CC=C3N1

InChI

InChI=1S/C13H12N2/c1-2-6-11-10(5-1)9-14-12-7-3-4-8-13(12)15-11/h1-8,14-15H,9H2

InChIKey

OMGNOSZSCQGCGV-UHFFFAOYSA-N

Compound name

6,11-dihydro-5H-benzo[b][1,4]benzodiazepine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 270
Patents: 196.10005 Da
Monoisotopic Mass: 3.0
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]+	197.10733	141.1
[M+Na]+	219.08927	153.7
[M+NH4]+	214.13387	149.8
[M+K]+	235.06321	147.3
[M-H]-	195.09277	143.4
[M+Na-2H]-	217.07472	148.2
[M]+	196.09950	143.6
[M]-	196.10060	143.6

Literature stripe

literature stripe

Patent stripe

patents stripe