CID 80469

6276-48-8

Structural Information

Molecular Formula

C₁₀H₁₀N₂O

SMILES

CC1=NC2=CC=CC=C2NC(=O)C1

InChI

InChI=1S/C10H10N2O/c1-7-6-10(13)12-9-5-3-2-4-8(9)11-7/h2-5H,6H2,1H3,(H,12,13)

InChIKey

AFHSLLLKMSITIA-UHFFFAOYSA-N

Compound name

4-methyl-1,3-dihydro-1,5-benzodiazepin-2-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 2
References: 49
Patents: 174.07932 Da
Monoisotopic Mass: 0.8
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]+	175.086596	133.0
[M+Na]+	197.068538	140.8
[M-H]-	173.072044	135.1
[M+NH4]+	192.113143	150.2
[M+K]+	213.042478	141.3
[M+H-H2O]+	157.076580	126.5
[M+HCOO]-	219.077521	151.6
[M+CH3COO]-	233.093171	145.4
[M+Na-2H]-	195.053986	140.8
[M]+	174.07877142	128.4
[M]-	174.07986858	128.4

Literature stripe

literature stripe

Patent stripe

patents stripe