CID 3078200

Brn 5532774

Structural Information

Molecular Formula

C₁₁H₁₄N₂O

SMILES

CCN1C(=O)CCNC2=CC=CC=C21

InChI

InChI=1S/C11H14N2O/c1-2-13-10-6-4-3-5-9(10)12-8-7-11(13)14/h3-6,12H,2,7-8H2,1H3

InChIKey

HSZLNPJAFSBTOE-UHFFFAOYSA-N

Compound name

5-ethyl-2,3-dihydro-1H-1,5-benzodiazepin-4-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 9
Patents: 190.11061 Da
Monoisotopic Mass: 1.3
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]+	191.11789	139.7
[M+Na]+	213.09983	150.5
[M+NH4]+	208.14443	147.0
[M+K]+	229.07377	145.6
[M-H]-	189.10333	140.6
[M+Na-2H]-	211.08528	145.0
[M]+	190.11006	141.4
[M]-	190.11116	141.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe