CID 201327

5814-41-5

Structural Information

Molecular Formula

C₁₃H₁₀N₂O

SMILES

C1=CC=C2C(=C1)C(=O)NC3=CC=CC=C3N2

InChI

InChI=1S/C13H10N2O/c16-13-9-5-1-2-6-10(9)14-11-7-3-4-8-12(11)15-13/h1-8,14H,(H,15,16)

InChIKey

KVVFXAAMMFTLGN-UHFFFAOYSA-N

Compound name

5,11-dihydrobenzo[b][1,4]benzodiazepin-6-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 13
References: 262
Patents: 210.07932 Da
Monoisotopic Mass: 2.4
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]+	211.08660	143.7
[M+Na]+	233.06854	156.2
[M+NH4]+	228.11314	151.6
[M+K]+	249.04248	150.4
[M-H]-	209.07204	145.4
[M+Na-2H]-	231.05399	150.1
[M]+	210.07877	146.0
[M]-	210.07987	146.0

Literature stripe

literature stripe

Patent stripe

patents stripe