CID 192746

1824-72-2

Structural Information

Molecular Formula

C₉H₁₀N₂O

SMILES

C1C2=CC=CC=C2NC(=O)CN1

InChI

InChI=1S/C9H10N2O/c12-9-6-10-5-7-3-1-2-4-8(7)11-9/h1-4,10H,5-6H2,(H,11,12)

InChIKey

ROXAFEIDZVHGFX-UHFFFAOYSA-N

Compound name

1,3,4,5-tetrahydro-1,4-benzodiazepin-2-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 4
References: 107
Patents: 162.07932 Da
Monoisotopic Mass: 0.7
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]+	163.08660	130.9
[M+Na]+	185.06854	136.8
[M-H]-	161.07204	131.1
[M+NH4]+	180.11314	147.4
[M+K]+	201.04248	136.8
[M+H-H2O]+	145.07658	124.4
[M+HCOO]-	207.07752	147.0
[M+CH3COO]-	221.09317	142.1
[M+Na-2H]-	183.05399	138.4
[M]+	162.07877	122.5
[M]-	162.07987	122.5

Literature stripe

literature stripe

Patent stripe

patents stripe