CID 217679

39243-92-0

Structural Information

Molecular Formula

C₁₂H₁₂N₂

SMILES

C1C2=CC=CC=C2N3C=CC=C3CN1

InChI

InChI=1S/C12H12N2/c1-2-6-12-10(4-1)8-13-9-11-5-3-7-14(11)12/h1-7,13H,8-9H2

InChIKey

DGNYJUFFMJDSPY-UHFFFAOYSA-N

Compound name

5,6-dihydro-4H-pyrrolo[1,2-a][1,4]benzodiazepine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 97
Patents: 184.10005 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]+	185.10733	137.7
[M+Na]+	207.08927	149.2
[M+NH4]+	202.13387	146.7
[M+K]+	223.06321	145.0
[M-H]-	183.09277	139.7
[M+Na-2H]-	205.07472	143.9
[M]+	184.09950	139.9
[M]-	184.10060	139.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe