CID 3060399

78105-31-4

Structural Information

Molecular Formula

C₁₁H₁₁N₃

SMILES

C1C2=NC=CN2CC3=CC=CC=C3N1

InChI

InChI=1S/C11H11N3/c1-2-4-10-9(3-1)8-14-6-5-12-11(14)7-13-10/h1-6,13H,7-8H2

InChIKey

GWSCOZZXRQEHTO-UHFFFAOYSA-N

Compound name

5,10-dihydro-4H-imidazo[2,1-c][1,4]benzodiazepine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 39
Patents: 185.09529 Da
Monoisotopic Mass: 1.2
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]+	186.10257	137.8
[M+Na]+	208.08451	149.3
[M+NH4]+	203.12911	146.1
[M+K]+	224.05845	145.5
[M-H]-	184.08801	139.0
[M+Na-2H]-	206.06996	143.8
[M]+	185.09474	139.8
[M]-	185.09584	139.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe