CID 3060398

5h-imidazo(2,1-c)(1,4)benzodiazepine

Structural Information

Molecular Formula

C₁₁H₉N₃

SMILES

C1C2=CC=CC=C2N=CC3=NC=CN31

InChI

InChI=1S/C11H9N3/c1-2-4-10-9(3-1)8-14-6-5-12-11(14)7-13-10/h1-7H,8H2

InChIKey

SQKQWKKZZCFSAW-UHFFFAOYSA-N

Compound name

10H-imidazo[2,1-c][1,4]benzodiazepine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 4
Patents: 183.07965 Da
Monoisotopic Mass: 1.1
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]+	184.08693	136.1
[M+Na]+	206.06887	145.8
[M-H]-	182.07237	139.5
[M+NH4]+	201.11347	154.9
[M+K]+	222.04281	144.6
[M+H-H2O]+	166.07691	128.1
[M+HCOO]-	228.07785	156.2
[M+CH3COO]-	242.09350	149.1
[M+Na-2H]-	204.05432	145.4
[M]+	183.07910	134.1
[M]-	183.08020	134.1

Literature stripe

literature stripe

Patent stripe

patents stripe