CID 5288116

627529-41-3

Structural Information

Molecular Formula

C₁₂H₁₁N₃

SMILES

C1CC2=CC(=NN=C2C3=CC=CC=C31)N

InChI

InChI=1S/C12H11N3/c13-11-7-9-6-5-8-3-1-2-4-10(8)12(9)15-14-11/h1-4,7H,5-6H2,(H2,13,14)

InChIKey

QKVREUJWFZJEJK-UHFFFAOYSA-N

Compound name

5,6-dihydrobenzo[h]cinnolin-3-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 27
Patents: 197.09529 Da
Monoisotopic Mass: 1.5
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]+	198.10257	140.9
[M+Na]+	220.08451	150.0
[M-H]-	196.08801	143.2
[M+NH4]+	215.12911	159.2
[M+K]+	236.05845	145.1
[M+H-H2O]+	180.09255	132.7
[M+HCOO]-	242.09349	160.5
[M+CH3COO]-	256.10914	153.3
[M+Na-2H]-	218.06996	151.1
[M]+	197.09474	138.1
[M]-	197.09584	138.1

Literature stripe

literature stripe

Patent stripe

patents stripe