CID 135432558

70656-87-0

Structural Information

Molecular Formula

C₁₀H₁₀N₂O

SMILES

CC1=NCC(=O)NC2=CC=CC=C12

InChI

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

InChIKey

DIDPQMKDRMWTTD-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 32
References: 25
Patents: 174.07932 Da
Monoisotopic Mass: 0.5
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]+	175.08660	133.0
[M+Na]+	197.06854	140.8
[M-H]-	173.07204	135.1
[M+NH4]+	192.11314	150.2
[M+K]+	213.04248	141.3
[M+H-H2O]+	157.07658	126.5
[M+HCOO]-	219.07752	151.6
[M+CH3COO]-	233.09317	145.4
[M+Na-2H]-	195.05399	140.8
[M]+	174.07877	128.4
[M]-	174.07987	128.4

Literature stripe

literature stripe

Patent stripe

patents stripe