CID 24779775

Hdaci-01

Structural Information

Molecular Formula

C₂₀H₁₄N₂O₃

SMILES

C1=CC=C2C(=C1)C(=NC3=CC=CC=C3O2)C4=CC=C(C=C4)C(=O)NO

InChI

InChI=1S/C20H14N2O3/c23-20(22-24)14-11-9-13(10-12-14)19-15-5-1-3-7-17(15)25-18-8-4-2-6-16(18)21-19/h1-12,24H,(H,22,23)

InChIKey

ZBYQBWHQMGPCBT-UHFFFAOYSA-N

Compound name

4-benzo[b][1,4]benzoxazepin-6-yl-N-hydroxybenzamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 2
References: 33
Patents: 330.10043 Da
Monoisotopic Mass: 3.4
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]+	331.107706	176.4
[M+Na]+	353.089648	183.7
[M-H]-	329.093154	184.5
[M+NH4]+	348.134253	187.8
[M+K]+	369.063588	184.2
[M+H-H2O]+	313.097690	168.8
[M+HCOO]-	375.098631	194.8
[M+CH3COO]-	389.114281	186.7
[M+Na-2H]-	351.075096	184.3
[M]+	330.09988142	174.8
[M]-	330.10097858	174.8

Literature stripe

literature stripe

Patent stripe

patents stripe